SimRNA (c) 2009-2024 Genesilico, ver. 3.33
Replica Exchange Monte Carlo Method is SWITCHED ON
10 replicas were ordered
.reading parameteres
setting random seed = 1
initiating replica nr: 1
before entireStruct->initialize(input)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv2_dominio3_RNAco-59991fe0/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 82 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 82 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: 415
n_atoms_counter: 415
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 82.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 0.900
successfully initiated
initiating replica nr: 2
before entireStruct->initialize(input)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv2_dominio3_RNAco-59991fe0/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 82 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 82 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: 415
n_atoms_counter: 415
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 82.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 0.950
successfully initiated
initiating replica nr: 3
before entireStruct->initialize(input)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv2_dominio3_RNAco-59991fe0/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 82 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 82 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: 415
n_atoms_counter: 415
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 82.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.000
successfully initiated
initiating replica nr: 4
before entireStruct->initialize(input)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv2_dominio3_RNAco-59991fe0/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 82 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 82 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: 415
n_atoms_counter: 415
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 82.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.050
successfully initiated
initiating replica nr: 5
before entireStruct->initialize(input)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv2_dominio3_RNAco-59991fe0/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 82 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 82 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: 415
n_atoms_counter: 415
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 82.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.100
successfully initiated
initiating replica nr: 6
before entireStruct->initialize(input)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv2_dominio3_RNAco-59991fe0/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 82 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 82 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: 415
n_atoms_counter: 415
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 82.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.150
successfully initiated
initiating replica nr: 7
before entireStruct->initialize(input)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv2_dominio3_RNAco-59991fe0/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 82 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 82 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: 415
n_atoms_counter: 415
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 82.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.200
successfully initiated
initiating replica nr: 8
before entireStruct->initialize(input)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv2_dominio3_RNAco-59991fe0/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 82 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 82 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: 415
n_atoms_counter: 415
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 82.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.250
successfully initiated
initiating replica nr: 9
before entireStruct->initialize(input)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv2_dominio3_RNAco-59991fe0/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 82 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 82 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: 415
n_atoms_counter: 415
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 82.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.300
successfully initiated
initiating replica nr: 10
before entireStruct->initialize(input)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv2_dominio3_RNAco-59991fe0/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 82 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 82 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: 415
n_atoms_counter: 415
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 82.000000 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: -716.330400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.330400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.330400 (E_RNA)
where:
Base-Base interactions energy: -478.283
where: short stacking energy: -185.331
Base-Backbone interact. energy: -1.009
local terms energy: -237.038356
where:
bonds (distance) C4'-P energy: -50.500
bonds (distance) P-C4' energy: -58.460
flat angles C4'-P-C4' energy: -48.339
flat angles P-C4'-P energy: -22.300
tors. eta vs tors. theta energy: -57.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -716.330400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.330400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.330400 (E_RNA)
where:
Base-Base interactions energy: -478.283
where: short stacking energy: -185.331
Base-Backbone interact. energy: -1.009
local terms energy: -237.038356
where:
bonds (distance) C4'-P energy: -50.500
bonds (distance) P-C4' energy: -58.460
flat angles C4'-P-C4' energy: -48.339
flat angles P-C4'-P energy: -22.300
tors. eta vs tors. theta energy: -57.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -716.330400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.330400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.330400 (E_RNA)
where:
Base-Base interactions energy: -478.283
where: short stacking energy: -185.331
Base-Backbone interact. energy: -1.009
local terms energy: -237.038356
where:
bonds (distance) C4'-P energy: -50.500
bonds (distance) P-C4' energy: -58.460
flat angles C4'-P-C4' energy: -48.339
flat angles P-C4'-P energy: -22.300
tors. eta vs tors. theta energy: -57.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -716.330400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.330400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.330400 (E_RNA)
where:
Base-Base interactions energy: -478.283
where: short stacking energy: -185.331
Base-Backbone interact. energy: -1.009
local terms energy: -237.038356
where:
bonds (distance) C4'-P energy: -50.500
bonds (distance) P-C4' energy: -58.460
flat angles C4'-P-C4' energy: -48.339
flat angles P-C4'-P energy: -22.300
tors. eta vs tors. theta energy: -57.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -716.330400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.330400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.330400 (E_RNA)
where:
Base-Base interactions energy: -478.283
where: short stacking energy: -185.331
Base-Backbone interact. energy: -1.009
local terms energy: -237.038356
where:
bonds (distance) C4'-P energy: -50.500
bonds (distance) P-C4' energy: -58.460
flat angles C4'-P-C4' energy: -48.339
flat angles P-C4'-P energy: -22.300
tors. eta vs tors. theta energy: -57.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -716.330400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.330400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.330400 (E_RNA)
where:
Base-Base interactions energy: -478.283
where: short stacking energy: -185.331
Base-Backbone interact. energy: -1.009
local terms energy: -237.038356
where:
bonds (distance) C4'-P energy: -50.500
bonds (distance) P-C4' energy: -58.460
flat angles C4'-P-C4' energy: -48.339
flat angles P-C4'-P energy: -22.300
tors. eta vs tors. theta energy: -57.438
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: 1
Temperature: 1.200000
Total energy: -716.330400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.330400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.330400 (E_RNA)
where:
Base-Base interactions energy: -478.283
where: short stacking energy: -185.331
Base-Backbone interact. energy: -1.009
local terms energy: -237.038356
where:
bonds (distance) C4'-P energy: -50.500
bonds (distance) P-C4' energy: -58.460
flat angles C4'-P-C4' energy: -48.339
flat angles P-C4'-P energy: -22.300
tors. eta vs tors. theta energy: -57.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -716.330400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.330400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.330400 (E_RNA)
where:
Base-Base interactions energy: -478.283
where: short stacking energy: -185.331
Base-Backbone interact. energy: -1.009
local terms energy: -237.038356
where:
bonds (distance) C4'-P energy: -50.500
bonds (distance) P-C4' energy: -58.460
flat angles C4'-P-C4' energy: -48.339
flat angles P-C4'-P energy: -22.300
tors. eta vs tors. theta energy: -57.438
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: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -716.330400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.330400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.330400 (E_RNA)
where:
Base-Base interactions energy: -478.283
where: short stacking energy: -185.331
Base-Backbone interact. energy: -1.009
local terms energy: -237.038356
where:
bonds (distance) C4'-P energy: -50.500
bonds (distance) P-C4' energy: -58.460
flat angles C4'-P-C4' energy: -48.339
flat angles P-C4'-P energy: -22.300
tors. eta vs tors. theta energy: -57.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -716.330400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.330400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.330400 (E_RNA)
where:
Base-Base interactions energy: -478.283
where: short stacking energy: -185.331
Base-Backbone interact. energy: -1.009
local terms energy: -237.038356
where:
bonds (distance) C4'-P energy: -50.500
bonds (distance) P-C4' energy: -58.460
flat angles C4'-P-C4' energy: -48.339
flat angles P-C4'-P energy: -22.300
tors. eta vs tors. theta energy: -57.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -851.100738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.100738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.100738 (E_RNA)
where:
Base-Base interactions energy: -582.224
where: short stacking energy: -252.228
Base-Backbone interact. energy: -0.804
local terms energy: -268.073117
where:
bonds (distance) C4'-P energy: -51.190
bonds (distance) P-C4' energy: -54.619
flat angles C4'-P-C4' energy: -56.045
flat angles P-C4'-P energy: -40.757
tors. eta vs tors. theta energy: -65.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -864.892214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.892214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.892214 (E_RNA)
where:
Base-Base interactions energy: -586.944
where: short stacking energy: -269.664
Base-Backbone interact. energy: -1.125
local terms energy: -276.823005
where:
bonds (distance) C4'-P energy: -54.284
bonds (distance) P-C4' energy: -47.862
flat angles C4'-P-C4' energy: -63.775
flat angles P-C4'-P energy: -34.821
tors. eta vs tors. theta energy: -76.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -815.068638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.068638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.068638 (E_RNA)
where:
Base-Base interactions energy: -570.778
where: short stacking energy: -232.926
Base-Backbone interact. energy: -1.047
local terms energy: -243.243921
where:
bonds (distance) C4'-P energy: -39.740
bonds (distance) P-C4' energy: -49.803
flat angles C4'-P-C4' energy: -58.116
flat angles P-C4'-P energy: -36.849
tors. eta vs tors. theta energy: -58.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -774.189106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.189106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.189106 (E_RNA)
where:
Base-Base interactions energy: -528.908
where: short stacking energy: -231.709
Base-Backbone interact. energy: -0.630
local terms energy: -244.651263
where:
bonds (distance) C4'-P energy: -47.034
bonds (distance) P-C4' energy: -53.773
flat angles C4'-P-C4' energy: -56.294
flat angles P-C4'-P energy: -28.949
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: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -749.397430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.397430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.397430 (E_RNA)
where:
Base-Base interactions energy: -496.018
where: short stacking energy: -214.387
Base-Backbone interact. energy: -0.611
local terms energy: -252.768637
where:
bonds (distance) C4'-P energy: -51.563
bonds (distance) P-C4' energy: -51.755
flat angles C4'-P-C4' energy: -60.515
flat angles P-C4'-P energy: -34.709
tors. eta vs tors. theta energy: -54.227
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: 2
Temperature: 1.150000
Total energy: -773.781757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.781757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.781757 (E_RNA)
where:
Base-Base interactions energy: -529.538
where: short stacking energy: -220.537
Base-Backbone interact. energy: 0.191
local terms energy: -244.434475
where:
bonds (distance) C4'-P energy: -56.510
bonds (distance) P-C4' energy: -46.778
flat angles C4'-P-C4' energy: -53.777
flat angles P-C4'-P energy: -30.794
tors. eta vs tors. theta energy: -56.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -730.944880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.944880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.944880 (E_RNA)
where:
Base-Base interactions energy: -496.338
where: short stacking energy: -219.766
Base-Backbone interact. energy: -1.856
local terms energy: -232.750992
where:
bonds (distance) C4'-P energy: -45.833
bonds (distance) P-C4' energy: -46.805
flat angles C4'-P-C4' energy: -54.485
flat angles P-C4'-P energy: -21.737
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: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -732.030560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.030560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.030560 (E_RNA)
where:
Base-Base interactions energy: -507.843
where: short stacking energy: -200.001
Base-Backbone interact. energy: -1.800
local terms energy: -222.387767
where:
bonds (distance) C4'-P energy: -41.373
bonds (distance) P-C4' energy: -43.145
flat angles C4'-P-C4' energy: -54.997
flat angles P-C4'-P energy: -26.507
tors. eta vs tors. theta energy: -56.366
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: 2
Temperature: 1.300000
Total energy: -721.110360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.110360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.110360 (E_RNA)
where:
Base-Base interactions energy: -487.508
where: short stacking energy: -193.791
Base-Backbone interact. energy: -1.962
local terms energy: -231.640682
where:
bonds (distance) C4'-P energy: -45.472
bonds (distance) P-C4' energy: -57.459
flat angles C4'-P-C4' energy: -43.498
flat angles P-C4'-P energy: -30.422
tors. eta vs tors. theta energy: -54.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -711.002964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.002964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.002964 (E_RNA)
where:
Base-Base interactions energy: -471.700
where: short stacking energy: -185.401
Base-Backbone interact. energy: -1.042
local terms energy: -238.260356
where:
bonds (distance) C4'-P energy: -50.145
bonds (distance) P-C4' energy: -61.317
flat angles C4'-P-C4' energy: -46.372
flat angles P-C4'-P energy: -23.174
tors. eta vs tors. theta energy: -57.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -887.658030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.658030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.658030 (E_RNA)
where:
Base-Base interactions energy: -615.770
where: short stacking energy: -248.255
Base-Backbone interact. energy: -0.609
local terms energy: -271.278596
where:
bonds (distance) C4'-P energy: -57.991
bonds (distance) P-C4' energy: -52.612
flat angles C4'-P-C4' energy: -60.947
flat angles P-C4'-P energy: -39.996
tors. eta vs tors. theta energy: -59.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -839.071966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.071966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.071966 (E_RNA)
where:
Base-Base interactions energy: -594.143
where: short stacking energy: -243.500
Base-Backbone interact. energy: -0.884
local terms energy: -244.045127
where:
bonds (distance) C4'-P energy: -51.755
bonds (distance) P-C4' energy: -51.014
flat angles C4'-P-C4' energy: -44.845
flat angles P-C4'-P energy: -31.229
tors. eta vs tors. theta energy: -65.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -805.561378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.561378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.561378 (E_RNA)
where:
Base-Base interactions energy: -549.171
where: short stacking energy: -235.068
Base-Backbone interact. energy: -0.575
local terms energy: -255.815260
where:
bonds (distance) C4'-P energy: -53.651
bonds (distance) P-C4' energy: -43.350
flat angles C4'-P-C4' energy: -61.967
flat angles P-C4'-P energy: -37.533
tors. eta vs tors. theta energy: -59.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -804.024225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.024225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.024225 (E_RNA)
where:
Base-Base interactions energy: -559.675
where: short stacking energy: -235.758
Base-Backbone interact. energy: 0.875
local terms energy: -245.223947
where:
bonds (distance) C4'-P energy: -42.958
bonds (distance) P-C4' energy: -56.150
flat angles C4'-P-C4' energy: -53.180
flat angles P-C4'-P energy: -36.019
tors. eta vs tors. theta energy: -56.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -768.006746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.006746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.006746 (E_RNA)
where:
Base-Base interactions energy: -546.009
where: short stacking energy: -217.255
Base-Backbone interact. energy: -0.704
local terms energy: -221.294141
where:
bonds (distance) C4'-P energy: -38.720
bonds (distance) P-C4' energy: -41.176
flat angles C4'-P-C4' energy: -54.921
flat angles P-C4'-P energy: -34.435
tors. eta vs tors. theta energy: -52.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -737.959620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.959620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.959620 (E_RNA)
where:
Base-Base interactions energy: -505.475
where: short stacking energy: -213.386
Base-Backbone interact. energy: -0.783
local terms energy: -231.701846
where:
bonds (distance) C4'-P energy: -47.660
bonds (distance) P-C4' energy: -46.619
flat angles C4'-P-C4' energy: -52.926
flat angles P-C4'-P energy: -35.566
tors. eta vs tors. theta energy: -48.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -721.447966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.447966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.447966 (E_RNA)
where:
Base-Base interactions energy: -492.879
where: short stacking energy: -193.740
Base-Backbone interact. energy: 1.792
local terms energy: -230.361133
where:
bonds (distance) C4'-P energy: -47.566
bonds (distance) P-C4' energy: -51.826
flat angles C4'-P-C4' energy: -47.674
flat angles P-C4'-P energy: -37.369
tors. eta vs tors. theta energy: -45.927
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: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -691.113845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.113845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.113845 (E_RNA)
where:
Base-Base interactions energy: -488.292
where: short stacking energy: -196.591
Base-Backbone interact. energy: 0.796
local terms energy: -203.618470
where:
bonds (distance) C4'-P energy: -36.835
bonds (distance) P-C4' energy: -45.332
flat angles C4'-P-C4' energy: -45.642
flat angles P-C4'-P energy: -31.755
tors. eta vs tors. theta energy: -44.054
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: 3
Temperature: 1.300000
Total energy: -666.952969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.952969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.952969 (E_RNA)
where:
Base-Base interactions energy: -452.106
where: short stacking energy: -188.029
Base-Backbone interact. energy: -0.846
local terms energy: -214.000449
where:
bonds (distance) C4'-P energy: -42.454
bonds (distance) P-C4' energy: -43.903
flat angles C4'-P-C4' energy: -51.338
flat angles P-C4'-P energy: -33.564
tors. eta vs tors. theta energy: -42.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -618.930338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.930338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.930338 (E_RNA)
where:
Base-Base interactions energy: -404.624
where: short stacking energy: -173.115
Base-Backbone interact. energy: -0.656
local terms energy: -213.650163
where:
bonds (distance) C4'-P energy: -44.815
bonds (distance) P-C4' energy: -42.586
flat angles C4'-P-C4' energy: -51.858
flat angles P-C4'-P energy: -34.792
tors. eta vs tors. theta energy: -39.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -856.624256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.624256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.624256 (E_RNA)
where:
Base-Base interactions energy: -604.295
where: short stacking energy: -245.676
Base-Backbone interact. energy: -1.530
local terms energy: -250.799495
where:
bonds (distance) C4'-P energy: -51.461
bonds (distance) P-C4' energy: -51.223
flat angles C4'-P-C4' energy: -50.858
flat angles P-C4'-P energy: -40.943
tors. eta vs tors. theta energy: -56.314
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: 2
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -847.487524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.487524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.487524 (E_RNA)
where:
Base-Base interactions energy: -574.924
where: short stacking energy: -245.710
Base-Backbone interact. energy: -1.361
local terms energy: -271.202027
where:
bonds (distance) C4'-P energy: -51.839
bonds (distance) P-C4' energy: -55.904
flat angles C4'-P-C4' energy: -50.200
flat angles P-C4'-P energy: -45.222
tors. eta vs tors. theta energy: -68.037
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: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -799.413205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.413205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.413205 (E_RNA)
where:
Base-Base interactions energy: -546.678
where: short stacking energy: -246.345
Base-Backbone interact. energy: -0.925
local terms energy: -251.809823
where:
bonds (distance) C4'-P energy: -50.970
bonds (distance) P-C4' energy: -44.832
flat angles C4'-P-C4' energy: -49.408
flat angles P-C4'-P energy: -42.169
tors. eta vs tors. theta energy: -64.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -795.418707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.418707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.418707 (E_RNA)
where:
Base-Base interactions energy: -551.852
where: short stacking energy: -229.072
Base-Backbone interact. energy: -0.392
local terms energy: -243.175245
where:
bonds (distance) C4'-P energy: -45.983
bonds (distance) P-C4' energy: -49.091
flat angles C4'-P-C4' energy: -51.589
flat angles P-C4'-P energy: -38.925
tors. eta vs tors. theta energy: -57.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -809.169103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.169103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.169103 (E_RNA)
where:
Base-Base interactions energy: -565.994
where: short stacking energy: -232.533
Base-Backbone interact. energy: -0.902
local terms energy: -242.273054
where:
bonds (distance) C4'-P energy: -46.456
bonds (distance) P-C4' energy: -48.657
flat angles C4'-P-C4' energy: -56.591
flat angles P-C4'-P energy: -34.706
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: 6, replica: 6
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -760.550248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.550248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.550248 (E_RNA)
where:
Base-Base interactions energy: -537.225
where: short stacking energy: -198.694
Base-Backbone interact. energy: -0.632
local terms energy: -222.692634
where:
bonds (distance) C4'-P energy: -44.458
bonds (distance) P-C4' energy: -46.976
flat angles C4'-P-C4' energy: -50.338
flat angles P-C4'-P energy: -31.968
tors. eta vs tors. theta energy: -48.952
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: 7
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -719.777773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.777773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.777773 (E_RNA)
where:
Base-Base interactions energy: -486.277
where: short stacking energy: -201.720
Base-Backbone interact. energy: -0.445
local terms energy: -233.055397
where:
bonds (distance) C4'-P energy: -32.618
bonds (distance) P-C4' energy: -53.001
flat angles C4'-P-C4' energy: -52.598
flat angles P-C4'-P energy: -37.426
tors. eta vs tors. theta energy: -57.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -687.134566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.134566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.134566 (E_RNA)
where:
Base-Base interactions energy: -475.219
where: short stacking energy: -185.444
Base-Backbone interact. energy: -1.092
local terms energy: -210.824342
where:
bonds (distance) C4'-P energy: -41.032
bonds (distance) P-C4' energy: -40.741
flat angles C4'-P-C4' energy: -47.828
flat angles P-C4'-P energy: -32.933
tors. eta vs tors. theta energy: -48.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -653.632594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.632594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.632594 (E_RNA)
where:
Base-Base interactions energy: -452.510
where: short stacking energy: -175.074
Base-Backbone interact. energy: 5.127
local terms energy: -206.249725
where:
bonds (distance) C4'-P energy: -39.635
bonds (distance) P-C4' energy: -43.176
flat angles C4'-P-C4' energy: -52.988
flat angles P-C4'-P energy: -28.790
tors. eta vs tors. theta energy: -41.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -631.449672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.449672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.449672 (E_RNA)
where:
Base-Base interactions energy: -439.379
where: short stacking energy: -162.304
Base-Backbone interact. energy: -3.351
local terms energy: -188.719973
where:
bonds (distance) C4'-P energy: -30.891
bonds (distance) P-C4' energy: -43.860
flat angles C4'-P-C4' energy: -44.486
flat angles P-C4'-P energy: -34.142
tors. eta vs tors. theta energy: -35.340
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: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -856.999171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.999171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.999171 (E_RNA)
where:
Base-Base interactions energy: -611.866
where: short stacking energy: -239.984
Base-Backbone interact. energy: -2.167
local terms energy: -242.966314
where:
bonds (distance) C4'-P energy: -51.314
bonds (distance) P-C4' energy: -45.207
flat angles C4'-P-C4' energy: -56.226
flat angles P-C4'-P energy: -39.165
tors. eta vs tors. theta energy: -51.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -855.957839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.957839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.957839 (E_RNA)
where:
Base-Base interactions energy: -581.847
where: short stacking energy: -255.461
Base-Backbone interact. energy: -2.877
local terms energy: -271.233248
where:
bonds (distance) C4'-P energy: -52.099
bonds (distance) P-C4' energy: -50.003
flat angles C4'-P-C4' energy: -57.965
flat angles P-C4'-P energy: -40.031
tors. eta vs tors. theta energy: -71.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -804.531916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.531916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.531916 (E_RNA)
where:
Base-Base interactions energy: -542.077
where: short stacking energy: -233.569
Base-Backbone interact. energy: -2.801
local terms energy: -259.653817
where:
bonds (distance) C4'-P energy: -40.950
bonds (distance) P-C4' energy: -57.344
flat angles C4'-P-C4' energy: -55.025
flat angles P-C4'-P energy: -42.971
tors. eta vs tors. theta energy: -63.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -815.178269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.178269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.178269 (E_RNA)
where:
Base-Base interactions energy: -563.441
where: short stacking energy: -242.065
Base-Backbone interact. energy: 0.316
local terms energy: -252.053825
where:
bonds (distance) C4'-P energy: -45.431
bonds (distance) P-C4' energy: -43.465
flat angles C4'-P-C4' energy: -54.554
flat angles P-C4'-P energy: -47.461
tors. eta vs tors. theta energy: -61.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -747.377870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.377870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.377870 (E_RNA)
where:
Base-Base interactions energy: -511.370
where: short stacking energy: -206.025
Base-Backbone interact. energy: -1.905
local terms energy: -234.102820
where:
bonds (distance) C4'-P energy: -49.668
bonds (distance) P-C4' energy: -55.775
flat angles C4'-P-C4' energy: -46.309
flat angles P-C4'-P energy: -29.272
tors. eta vs tors. theta energy: -53.078
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: 6, replica: 7
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -746.306063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.306063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.306063 (E_RNA)
where:
Base-Base interactions energy: -511.472
where: short stacking energy: -224.651
Base-Backbone interact. energy: 0.430
local terms energy: -235.263903
where:
bonds (distance) C4'-P energy: -50.691
bonds (distance) P-C4' energy: -51.257
flat angles C4'-P-C4' energy: -46.723
flat angles P-C4'-P energy: -33.187
tors. eta vs tors. theta energy: -53.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -744.970515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.970515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.970515 (E_RNA)
where:
Base-Base interactions energy: -520.955
where: short stacking energy: -206.827
Base-Backbone interact. energy: -0.829
local terms energy: -223.185966
where:
bonds (distance) C4'-P energy: -44.350
bonds (distance) P-C4' energy: -48.741
flat angles C4'-P-C4' energy: -53.668
flat angles P-C4'-P energy: -34.630
tors. eta vs tors. theta energy: -41.796
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: 8
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -715.709269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.709269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.709269 (E_RNA)
where:
Base-Base interactions energy: -505.292
where: short stacking energy: -209.102
Base-Backbone interact. energy: 0.020
local terms energy: -210.437902
where:
bonds (distance) C4'-P energy: -41.061
bonds (distance) P-C4' energy: -40.772
flat angles C4'-P-C4' energy: -43.151
flat angles P-C4'-P energy: -29.386
tors. eta vs tors. theta energy: -56.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -640.017040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.017040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.017040 (E_RNA)
where:
Base-Base interactions energy: -432.924
where: short stacking energy: -171.190
Base-Backbone interact. energy: -0.823
local terms energy: -206.269435
where:
bonds (distance) C4'-P energy: -46.300
bonds (distance) P-C4' energy: -45.621
flat angles C4'-P-C4' energy: -41.246
flat angles P-C4'-P energy: -37.184
tors. eta vs tors. theta energy: -35.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -546.101351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.101351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.101351 (E_RNA)
where:
Base-Base interactions energy: -387.243
where: short stacking energy: -147.995
Base-Backbone interact. energy: -0.709
local terms energy: -158.149753
where:
bonds (distance) C4'-P energy: -36.235
bonds (distance) P-C4' energy: -35.583
flat angles C4'-P-C4' energy: -37.966
flat angles P-C4'-P energy: -24.596
tors. eta vs tors. theta energy: -23.770
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: 1, replica: 2
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -886.830979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.830979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.830979 (E_RNA)
where:
Base-Base interactions energy: -605.373
where: short stacking energy: -260.783
Base-Backbone interact. energy: -0.828
local terms energy: -280.629345
where:
bonds (distance) C4'-P energy: -50.433
bonds (distance) P-C4' energy: -57.604
flat angles C4'-P-C4' energy: -63.552
flat angles P-C4'-P energy: -43.171
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: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -845.630712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.630712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.630712 (E_RNA)
where:
Base-Base interactions energy: -587.768
where: short stacking energy: -224.702
Base-Backbone interact. energy: -1.894
local terms energy: -255.969540
where:
bonds (distance) C4'-P energy: -48.719
bonds (distance) P-C4' energy: -56.594
flat angles C4'-P-C4' energy: -60.071
flat angles P-C4'-P energy: -35.452
tors. eta vs tors. theta energy: -55.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -833.845517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.845517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.845517 (E_RNA)
where:
Base-Base interactions energy: -568.220
where: short stacking energy: -244.905
Base-Backbone interact. energy: 0.417
local terms energy: -266.041948
where:
bonds (distance) C4'-P energy: -47.241
bonds (distance) P-C4' energy: -50.179
flat angles C4'-P-C4' energy: -63.467
flat angles P-C4'-P energy: -36.464
tors. eta vs tors. theta energy: -68.691
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: 5
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -780.472999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.472999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.472999 (E_RNA)
where:
Base-Base interactions energy: -555.404
where: short stacking energy: -234.098
Base-Backbone interact. energy: -1.766
local terms energy: -223.302196
where:
bonds (distance) C4'-P energy: -38.795
bonds (distance) P-C4' energy: -46.095
flat angles C4'-P-C4' energy: -58.263
flat angles P-C4'-P energy: -25.470
tors. eta vs tors. theta energy: -54.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -775.965016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.965016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.965016 (E_RNA)
where:
Base-Base interactions energy: -539.763
where: short stacking energy: -205.423
Base-Backbone interact. energy: -1.180
local terms energy: -235.021546
where:
bonds (distance) C4'-P energy: -47.945
bonds (distance) P-C4' energy: -44.407
flat angles C4'-P-C4' energy: -56.741
flat angles P-C4'-P energy: -32.333
tors. eta vs tors. theta energy: -53.596
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: 3
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -741.450954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.450954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.450954 (E_RNA)
where:
Base-Base interactions energy: -523.295
where: short stacking energy: -212.733
Base-Backbone interact. energy: -0.668
local terms energy: -217.486986
where:
bonds (distance) C4'-P energy: -40.226
bonds (distance) P-C4' energy: -44.182
flat angles C4'-P-C4' energy: -52.860
flat angles P-C4'-P energy: -29.095
tors. eta vs tors. theta energy: -51.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -724.149155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.149155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.149155 (E_RNA)
where:
Base-Base interactions energy: -494.864
where: short stacking energy: -203.598
Base-Backbone interact. energy: -2.572
local terms energy: -226.713178
where:
bonds (distance) C4'-P energy: -49.602
bonds (distance) P-C4' energy: -45.432
flat angles C4'-P-C4' energy: -54.938
flat angles P-C4'-P energy: -21.567
tors. eta vs tors. theta energy: -55.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -743.357289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.357289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.357289 (E_RNA)
where:
Base-Base interactions energy: -530.213
where: short stacking energy: -213.900
Base-Backbone interact. energy: -1.587
local terms energy: -211.556796
where:
bonds (distance) C4'-P energy: -34.548
bonds (distance) P-C4' energy: -36.276
flat angles C4'-P-C4' energy: -52.478
flat angles P-C4'-P energy: -31.109
tors. eta vs tors. theta energy: -57.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -691.889222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.889222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.889222 (E_RNA)
where:
Base-Base interactions energy: -469.431
where: short stacking energy: -199.929
Base-Backbone interact. energy: -0.423
local terms energy: -222.034483
where:
bonds (distance) C4'-P energy: -33.538
bonds (distance) P-C4' energy: -54.967
flat angles C4'-P-C4' energy: -49.156
flat angles P-C4'-P energy: -31.451
tors. eta vs tors. theta energy: -52.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -533.738700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.738700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.738700 (E_RNA)
where:
Base-Base interactions energy: -328.628
where: short stacking energy: -148.105
Base-Backbone interact. energy: -1.746
local terms energy: -203.364628
where:
bonds (distance) C4'-P energy: -48.133
bonds (distance) P-C4' energy: -48.750
flat angles C4'-P-C4' energy: -48.553
flat angles P-C4'-P energy: -26.419
tors. eta vs tors. theta energy: -31.510
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: 2
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -868.236201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.236201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.236201 (E_RNA)
where:
Base-Base interactions energy: -591.981
where: short stacking energy: -246.663
Base-Backbone interact. energy: -1.681
local terms energy: -274.574449
where:
bonds (distance) C4'-P energy: -53.425
bonds (distance) P-C4' energy: -52.880
flat angles C4'-P-C4' energy: -58.699
flat angles P-C4'-P energy: -39.606
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: 2, replica: 4
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -868.628881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.628881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.628881 (E_RNA)
where:
Base-Base interactions energy: -599.909
where: short stacking energy: -247.231
Base-Backbone interact. energy: -2.070
local terms energy: -266.650366
where:
bonds (distance) C4'-P energy: -50.862
bonds (distance) P-C4' energy: -49.465
flat angles C4'-P-C4' energy: -56.626
flat angles P-C4'-P energy: -45.122
tors. eta vs tors. theta energy: -64.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -828.161466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.161466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.161466 (E_RNA)
where:
Base-Base interactions energy: -554.256
where: short stacking energy: -244.064
Base-Backbone interact. energy: -0.762
local terms energy: -273.143838
where:
bonds (distance) C4'-P energy: -54.860
bonds (distance) P-C4' energy: -56.455
flat angles C4'-P-C4' energy: -55.123
flat angles P-C4'-P energy: -36.624
tors. eta vs tors. theta energy: -70.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -825.980539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.980539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.980539 (E_RNA)
where:
Base-Base interactions energy: -575.397
where: short stacking energy: -232.878
Base-Backbone interact. energy: -0.760
local terms energy: -249.824272
where:
bonds (distance) C4'-P energy: -55.288
bonds (distance) P-C4' energy: -41.891
flat angles C4'-P-C4' energy: -54.683
flat angles P-C4'-P energy: -32.605
tors. eta vs tors. theta energy: -65.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -773.653994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.653994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.653994 (E_RNA)
where:
Base-Base interactions energy: -535.776
where: short stacking energy: -234.167
Base-Backbone interact. energy: -0.869
local terms energy: -237.008734
where:
bonds (distance) C4'-P energy: -37.538
bonds (distance) P-C4' energy: -57.523
flat angles C4'-P-C4' energy: -52.681
flat angles P-C4'-P energy: -29.591
tors. eta vs tors. theta energy: -59.676
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: 3
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -765.218519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.218519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.218519 (E_RNA)
where:
Base-Base interactions energy: -546.187
where: short stacking energy: -219.792
Base-Backbone interact. energy: -0.204
local terms energy: -218.826996
where:
bonds (distance) C4'-P energy: -37.569
bonds (distance) P-C4' energy: -44.563
flat angles C4'-P-C4' energy: -46.852
flat angles P-C4'-P energy: -28.230
tors. eta vs tors. theta energy: -61.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -685.627578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.627578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.627578 (E_RNA)
where:
Base-Base interactions energy: -460.102
where: short stacking energy: -182.019
Base-Backbone interact. energy: -1.644
local terms energy: -223.881717
where:
bonds (distance) C4'-P energy: -51.327
bonds (distance) P-C4' energy: -44.328
flat angles C4'-P-C4' energy: -50.865
flat angles P-C4'-P energy: -30.339
tors. eta vs tors. theta energy: -47.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -741.849015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.849015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.849015 (E_RNA)
where:
Base-Base interactions energy: -509.961
where: short stacking energy: -222.857
Base-Backbone interact. energy: 0.256
local terms energy: -232.144190
where:
bonds (distance) C4'-P energy: -42.513
bonds (distance) P-C4' energy: -50.863
flat angles C4'-P-C4' energy: -50.505
flat angles P-C4'-P energy: -34.537
tors. eta vs tors. theta energy: -53.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -707.001854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.001854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.001854 (E_RNA)
where:
Base-Base interactions energy: -495.977
where: short stacking energy: -200.754
Base-Backbone interact. energy: -1.338
local terms energy: -209.686862
where:
bonds (distance) C4'-P energy: -39.366
bonds (distance) P-C4' energy: -46.195
flat angles C4'-P-C4' energy: -47.825
flat angles P-C4'-P energy: -31.571
tors. eta vs tors. theta energy: -44.730
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: 7
Temperature: 1.350000
Total energy: -533.317970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.317970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.317970 (E_RNA)
where:
Base-Base interactions energy: -349.804
where: short stacking energy: -145.508
Base-Backbone interact. energy: 0.009
local terms energy: -183.522974
where:
bonds (distance) C4'-P energy: -39.779
bonds (distance) P-C4' energy: -38.931
flat angles C4'-P-C4' energy: -42.629
flat angles P-C4'-P energy: -24.518
tors. eta vs tors. theta energy: -37.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -884.766844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.766844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.766844 (E_RNA)
where:
Base-Base interactions energy: -618.699
where: short stacking energy: -236.716
Base-Backbone interact. energy: -3.255
local terms energy: -262.813354
where:
bonds (distance) C4'-P energy: -52.874
bonds (distance) P-C4' energy: -49.526
flat angles C4'-P-C4' energy: -62.559
flat angles P-C4'-P energy: -36.191
tors. eta vs tors. theta energy: -61.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -861.813495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.813495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.813495 (E_RNA)
where:
Base-Base interactions energy: -596.468
where: short stacking energy: -245.691
Base-Backbone interact. energy: -0.575
local terms energy: -264.770393
where:
bonds (distance) C4'-P energy: -52.783
bonds (distance) P-C4' energy: -43.073
flat angles C4'-P-C4' energy: -56.809
flat angles P-C4'-P energy: -41.559
tors. eta vs tors. theta energy: -70.546
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: 1
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -823.037493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.037493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.037493 (E_RNA)
where:
Base-Base interactions energy: -566.957
where: short stacking energy: -214.031
Base-Backbone interact. energy: -0.999
local terms energy: -255.082289
where:
bonds (distance) C4'-P energy: -48.429
bonds (distance) P-C4' energy: -58.902
flat angles C4'-P-C4' energy: -53.286
flat angles P-C4'-P energy: -37.648
tors. eta vs tors. theta energy: -56.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -809.781658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.781658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.781658 (E_RNA)
where:
Base-Base interactions energy: -573.860
where: short stacking energy: -234.704
Base-Backbone interact. energy: 1.466
local terms energy: -237.387929
where:
bonds (distance) C4'-P energy: -50.647
bonds (distance) P-C4' energy: -38.891
flat angles C4'-P-C4' energy: -49.826
flat angles P-C4'-P energy: -35.807
tors. eta vs tors. theta energy: -62.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -762.129277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.129277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.129277 (E_RNA)
where:
Base-Base interactions energy: -527.349
where: short stacking energy: -218.965
Base-Backbone interact. energy: -1.259
local terms energy: -233.521408
where:
bonds (distance) C4'-P energy: -39.729
bonds (distance) P-C4' energy: -50.155
flat angles C4'-P-C4' energy: -51.363
flat angles P-C4'-P energy: -35.270
tors. eta vs tors. theta energy: -57.005
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: 6, replica: 5
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -733.949370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.949370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.949370 (E_RNA)
where:
Base-Base interactions energy: -490.366
where: short stacking energy: -205.153
Base-Backbone interact. energy: -2.698
local terms energy: -240.885755
where:
bonds (distance) C4'-P energy: -44.193
bonds (distance) P-C4' energy: -57.047
flat angles C4'-P-C4' energy: -49.425
flat angles P-C4'-P energy: -34.411
tors. eta vs tors. theta energy: -55.810
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: 10
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -705.549022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.549022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.549022 (E_RNA)
where:
Base-Base interactions energy: -476.304
where: short stacking energy: -199.137
Base-Backbone interact. energy: -0.392
local terms energy: -228.853664
where:
bonds (distance) C4'-P energy: -40.535
bonds (distance) P-C4' energy: -43.843
flat angles C4'-P-C4' energy: -54.419
flat angles P-C4'-P energy: -34.814
tors. eta vs tors. theta energy: -55.242
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: 8
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -713.387862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.387862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.387862 (E_RNA)
where:
Base-Base interactions energy: -495.060
where: short stacking energy: -222.134
Base-Backbone interact. energy: -0.414
local terms energy: -217.914178
where:
bonds (distance) C4'-P energy: -39.151
bonds (distance) P-C4' energy: -48.533
flat angles C4'-P-C4' energy: -46.080
flat angles P-C4'-P energy: -23.531
tors. eta vs tors. theta energy: -60.619
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: 6
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -693.084184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.084184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.084184 (E_RNA)
where:
Base-Base interactions energy: -479.472
where: short stacking energy: -178.514
Base-Backbone interact. energy: 1.488
local terms energy: -215.099581
where:
bonds (distance) C4'-P energy: -47.130
bonds (distance) P-C4' energy: -46.845
flat angles C4'-P-C4' energy: -48.182
flat angles P-C4'-P energy: -29.024
tors. eta vs tors. theta energy: -43.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -553.347785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.347785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.347785 (E_RNA)
where:
Base-Base interactions energy: -354.309
where: short stacking energy: -157.616
Base-Backbone interact. energy: -0.558
local terms energy: -198.480380
where:
bonds (distance) C4'-P energy: -42.741
bonds (distance) P-C4' energy: -42.381
flat angles C4'-P-C4' energy: -37.347
flat angles P-C4'-P energy: -35.606
tors. eta vs tors. theta energy: -40.404
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: 4
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -890.233531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.233531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.233531 (E_RNA)
where:
Base-Base interactions energy: -611.400
where: short stacking energy: -236.510
Base-Backbone interact. energy: -1.883
local terms energy: -276.950579
where:
bonds (distance) C4'-P energy: -53.047
bonds (distance) P-C4' energy: -61.094
flat angles C4'-P-C4' energy: -60.174
flat angles P-C4'-P energy: -39.052
tors. eta vs tors. theta energy: -63.583
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: 2, replica: 2
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -857.393813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.393813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.393813 (E_RNA)
where:
Base-Base interactions energy: -585.783
where: short stacking energy: -259.124
Base-Backbone interact. energy: -0.099
local terms energy: -271.511862
where:
bonds (distance) C4'-P energy: -51.684
bonds (distance) P-C4' energy: -50.696
flat angles C4'-P-C4' energy: -60.459
flat angles P-C4'-P energy: -37.610
tors. eta vs tors. theta energy: -71.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -836.468279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.468279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.468279 (E_RNA)
where:
Base-Base interactions energy: -562.612
where: short stacking energy: -229.309
Base-Backbone interact. energy: -1.737
local terms energy: -272.119384
where:
bonds (distance) C4'-P energy: -57.594
bonds (distance) P-C4' energy: -58.475
flat angles C4'-P-C4' energy: -59.979
flat angles P-C4'-P energy: -33.530
tors. eta vs tors. theta energy: -62.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -812.171069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.171069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.171069 (E_RNA)
where:
Base-Base interactions energy: -556.766
where: short stacking energy: -236.247
Base-Backbone interact. energy: 1.831
local terms energy: -257.235875
where:
bonds (distance) C4'-P energy: -39.880
bonds (distance) P-C4' energy: -58.066
flat angles C4'-P-C4' energy: -61.929
flat angles P-C4'-P energy: -34.054
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: 5, replica: 3
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -765.658710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.658710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.658710 (E_RNA)
where:
Base-Base interactions energy: -543.847
where: short stacking energy: -220.613
Base-Backbone interact. energy: 0.772
local terms energy: -222.583833
where:
bonds (distance) C4'-P energy: -46.475
bonds (distance) P-C4' energy: -41.628
flat angles C4'-P-C4' energy: -45.894
flat angles P-C4'-P energy: -30.092
tors. eta vs tors. theta energy: -58.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -786.547678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.547678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.547678 (E_RNA)
where:
Base-Base interactions energy: -535.689
where: short stacking energy: -216.461
Base-Backbone interact. energy: -0.118
local terms energy: -250.740369
where:
bonds (distance) C4'-P energy: -40.890
bonds (distance) P-C4' energy: -53.720
flat angles C4'-P-C4' energy: -55.615
flat angles P-C4'-P energy: -34.734
tors. eta vs tors. theta energy: -65.782
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: 10
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -722.341360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.341360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.341360 (E_RNA)
where:
Base-Base interactions energy: -492.751
where: short stacking energy: -197.208
Base-Backbone interact. energy: 0.342
local terms energy: -229.932682
where:
bonds (distance) C4'-P energy: -35.231
bonds (distance) P-C4' energy: -49.488
flat angles C4'-P-C4' energy: -59.422
flat angles P-C4'-P energy: -33.637
tors. eta vs tors. theta energy: -52.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -726.998678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.998678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.998678 (E_RNA)
where:
Base-Base interactions energy: -520.367
where: short stacking energy: -223.300
Base-Backbone interact. energy: -0.496
local terms energy: -206.135614
where:
bonds (distance) C4'-P energy: -32.661
bonds (distance) P-C4' energy: -35.269
flat angles C4'-P-C4' energy: -49.942
flat angles P-C4'-P energy: -36.655
tors. eta vs tors. theta energy: -51.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -721.989434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.989434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.989434 (E_RNA)
where:
Base-Base interactions energy: -507.256
where: short stacking energy: -213.948
Base-Backbone interact. energy: -0.075
local terms energy: -214.658608
where:
bonds (distance) C4'-P energy: -31.836
bonds (distance) P-C4' energy: -43.259
flat angles C4'-P-C4' energy: -51.776
flat angles P-C4'-P energy: -35.683
tors. eta vs tors. theta energy: -52.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -560.380747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.380747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.380747 (E_RNA)
where:
Base-Base interactions energy: -369.183
where: short stacking energy: -163.882
Base-Backbone interact. energy: 2.279
local terms energy: -193.476717
where:
bonds (distance) C4'-P energy: -42.494
bonds (distance) P-C4' energy: -32.421
flat angles C4'-P-C4' energy: -42.590
flat angles P-C4'-P energy: -31.171
tors. eta vs tors. theta energy: -44.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -881.402517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.402517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.402517 (E_RNA)
where:
Base-Base interactions energy: -597.095
where: short stacking energy: -259.024
Base-Backbone interact. energy: -0.941
local terms energy: -283.366698
where:
bonds (distance) C4'-P energy: -51.445
bonds (distance) P-C4' energy: -50.259
flat angles C4'-P-C4' energy: -64.705
flat angles P-C4'-P energy: -42.890
tors. eta vs tors. theta energy: -74.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -842.350359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.350359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.350359 (E_RNA)
where:
Base-Base interactions energy: -576.809
where: short stacking energy: -247.007
Base-Backbone interact. energy: 0.019
local terms energy: -265.560562
where:
bonds (distance) C4'-P energy: -40.272
bonds (distance) P-C4' energy: -55.818
flat angles C4'-P-C4' energy: -57.679
flat angles P-C4'-P energy: -45.208
tors. eta vs tors. theta energy: -66.584
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: 1
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -824.099163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.099163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.099163 (E_RNA)
where:
Base-Base interactions energy: -576.118
where: short stacking energy: -227.667
Base-Backbone interact. energy: -1.007
local terms energy: -246.974967
where:
bonds (distance) C4'-P energy: -42.782
bonds (distance) P-C4' energy: -47.653
flat angles C4'-P-C4' energy: -60.243
flat angles P-C4'-P energy: -34.340
tors. eta vs tors. theta energy: -61.956
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: 4, replica: 7
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -811.080044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.080044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.080044 (E_RNA)
where:
Base-Base interactions energy: -557.661
where: short stacking energy: -228.966
Base-Backbone interact. energy: -0.295
local terms energy: -253.123641
where:
bonds (distance) C4'-P energy: -47.505
bonds (distance) P-C4' energy: -52.652
flat angles C4'-P-C4' energy: -55.746
flat angles P-C4'-P energy: -34.322
tors. eta vs tors. theta energy: -62.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -802.126963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.126963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.126963 (E_RNA)
where:
Base-Base interactions energy: -559.625
where: short stacking energy: -234.036
Base-Backbone interact. energy: -0.645
local terms energy: -241.856726
where:
bonds (distance) C4'-P energy: -46.351
bonds (distance) P-C4' energy: -57.424
flat angles C4'-P-C4' energy: -46.459
flat angles P-C4'-P energy: -32.366
tors. eta vs tors. theta energy: -59.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -754.641177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.641177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.641177 (E_RNA)
where:
Base-Base interactions energy: -519.641
where: short stacking energy: -209.956
Base-Backbone interact. energy: 0.871
local terms energy: -235.871432
where:
bonds (distance) C4'-P energy: -40.537
bonds (distance) P-C4' energy: -50.369
flat angles C4'-P-C4' energy: -56.580
flat angles P-C4'-P energy: -38.259
tors. eta vs tors. theta energy: -50.126
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: 10
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -721.370757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.370757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.370757 (E_RNA)
where:
Base-Base interactions energy: -483.481
where: short stacking energy: -206.998
Base-Backbone interact. energy: -0.313
local terms energy: -237.576763
where:
bonds (distance) C4'-P energy: -50.341
bonds (distance) P-C4' energy: -44.907
flat angles C4'-P-C4' energy: -49.156
flat angles P-C4'-P energy: -29.984
tors. eta vs tors. theta energy: -63.189
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: 8
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -712.573382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.573382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.573382 (E_RNA)
where:
Base-Base interactions energy: -487.376
where: short stacking energy: -220.803
Base-Backbone interact. energy: -0.400
local terms energy: -224.796777
where:
bonds (distance) C4'-P energy: -42.215
bonds (distance) P-C4' energy: -48.586
flat angles C4'-P-C4' energy: -52.812
flat angles P-C4'-P energy: -24.726
tors. eta vs tors. theta energy: -56.459
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: 6
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -657.047713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.047713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.047713 (E_RNA)
where:
Base-Base interactions energy: -448.471
where: short stacking energy: -196.457
Base-Backbone interact. energy: -0.733
local terms energy: -207.843605
where:
bonds (distance) C4'-P energy: -44.656
bonds (distance) P-C4' energy: -37.586
flat angles C4'-P-C4' energy: -47.413
flat angles P-C4'-P energy: -25.538
tors. eta vs tors. theta energy: -52.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -591.247282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.247282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.247282 (E_RNA)
where:
Base-Base interactions energy: -421.320
where: short stacking energy: -168.988
Base-Backbone interact. energy: -0.092
local terms energy: -169.835629
where:
bonds (distance) C4'-P energy: -36.346
bonds (distance) P-C4' energy: -37.299
flat angles C4'-P-C4' energy: -42.745
flat angles P-C4'-P energy: -21.000
tors. eta vs tors. theta energy: -32.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -896.090846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.090846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.090846 (E_RNA)
where:
Base-Base interactions energy: -594.399
where: short stacking energy: -260.210
Base-Backbone interact. energy: -0.445
local terms energy: -301.246737
where:
bonds (distance) C4'-P energy: -62.108
bonds (distance) P-C4' energy: -54.278
flat angles C4'-P-C4' energy: -65.658
flat angles P-C4'-P energy: -38.958
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: 2, replica: 4
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -871.622188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.622188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.622188 (E_RNA)
where:
Base-Base interactions energy: -592.636
where: short stacking energy: -255.529
Base-Backbone interact. energy: 0.515
local terms energy: -279.500925
where:
bonds (distance) C4'-P energy: -46.962
bonds (distance) P-C4' energy: -50.818
flat angles C4'-P-C4' energy: -65.147
flat angles P-C4'-P energy: -45.956
tors. eta vs tors. theta energy: -70.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -833.487318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.487318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.487318 (E_RNA)
where:
Base-Base interactions energy: -579.667
where: short stacking energy: -228.794
Base-Backbone interact. energy: -0.243
local terms energy: -253.577306
where:
bonds (distance) C4'-P energy: -44.921
bonds (distance) P-C4' energy: -52.545
flat angles C4'-P-C4' energy: -56.991
flat angles P-C4'-P energy: -38.620
tors. eta vs tors. theta energy: -60.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -827.323030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.323030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.323030 (E_RNA)
where:
Base-Base interactions energy: -564.562
where: short stacking energy: -236.326
Base-Backbone interact. energy: 0.405
local terms energy: -263.165477
where:
bonds (distance) C4'-P energy: -43.835
bonds (distance) P-C4' energy: -53.142
flat angles C4'-P-C4' energy: -49.721
flat angles P-C4'-P energy: -45.127
tors. eta vs tors. theta energy: -71.340
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: 5
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -773.143084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.143084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.143084 (E_RNA)
where:
Base-Base interactions energy: -544.450
where: short stacking energy: -217.219
Base-Backbone interact. energy: -0.320
local terms energy: -228.372593
where:
bonds (distance) C4'-P energy: -48.431
bonds (distance) P-C4' energy: -46.782
flat angles C4'-P-C4' energy: -46.801
flat angles P-C4'-P energy: -38.365
tors. eta vs tors. theta energy: -47.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -779.323067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.323067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.323067 (E_RNA)
where:
Base-Base interactions energy: -533.779
where: short stacking energy: -216.590
Base-Backbone interact. energy: 0.291
local terms energy: -245.835700
where:
bonds (distance) C4'-P energy: -39.650
bonds (distance) P-C4' energy: -45.883
flat angles C4'-P-C4' energy: -54.423
flat angles P-C4'-P energy: -39.533
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: 7, replica: 3
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -752.097912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.097912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.097912 (E_RNA)
where:
Base-Base interactions energy: -527.189
where: short stacking energy: -216.509
Base-Backbone interact. energy: -0.364
local terms energy: -224.545304
where:
bonds (distance) C4'-P energy: -39.686
bonds (distance) P-C4' energy: -42.017
flat angles C4'-P-C4' energy: -48.230
flat angles P-C4'-P energy: -29.569
tors. eta vs tors. theta energy: -65.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -737.274560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.274560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.274560 (E_RNA)
where:
Base-Base interactions energy: -492.828
where: short stacking energy: -207.453
Base-Backbone interact. energy: -0.750
local terms energy: -243.696169
where:
bonds (distance) C4'-P energy: -44.597
bonds (distance) P-C4' energy: -45.071
flat angles C4'-P-C4' energy: -55.459
flat angles P-C4'-P energy: -37.737
tors. eta vs tors. theta energy: -60.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -678.762091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.762091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.762091 (E_RNA)
where:
Base-Base interactions energy: -452.853
where: short stacking energy: -179.589
Base-Backbone interact. energy: 0.315
local terms energy: -226.223373
where:
bonds (distance) C4'-P energy: -38.383
bonds (distance) P-C4' energy: -42.994
flat angles C4'-P-C4' energy: -50.380
flat angles P-C4'-P energy: -41.086
tors. eta vs tors. theta energy: -53.380
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: 11
Temperature: 1.350000
Total energy: -571.689558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.689558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.689558 (E_RNA)
where:
Base-Base interactions energy: -380.022
where: short stacking energy: -148.415
Base-Backbone interact. energy: -0.649
local terms energy: -191.019101
where:
bonds (distance) C4'-P energy: -45.386
bonds (distance) P-C4' energy: -33.742
flat angles C4'-P-C4' energy: -41.304
flat angles P-C4'-P energy: -37.037
tors. eta vs tors. theta energy: -33.550
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: 2
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -876.861015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.861015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.861015 (E_RNA)
where:
Base-Base interactions energy: -599.749
where: short stacking energy: -266.971
Base-Backbone interact. energy: -0.553
local terms energy: -276.558962
where:
bonds (distance) C4'-P energy: -48.279
bonds (distance) P-C4' energy: -44.157
flat angles C4'-P-C4' energy: -58.799
flat angles P-C4'-P energy: -41.685
tors. eta vs tors. theta energy: -83.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -887.057006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.057006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.057006 (E_RNA)
where:
Base-Base interactions energy: -614.428
where: short stacking energy: -266.532
Base-Backbone interact. energy: -0.499
local terms energy: -272.130040
where:
bonds (distance) C4'-P energy: -43.113
bonds (distance) P-C4' energy: -45.874
flat angles C4'-P-C4' energy: -60.921
flat angles P-C4'-P energy: -40.273
tors. eta vs tors. theta energy: -81.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -832.061711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.061711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.061711 (E_RNA)
where:
Base-Base interactions energy: -565.096
where: short stacking energy: -234.053
Base-Backbone interact. energy: -1.666
local terms energy: -265.299509
where:
bonds (distance) C4'-P energy: -48.785
bonds (distance) P-C4' energy: -56.126
flat angles C4'-P-C4' energy: -57.322
flat angles P-C4'-P energy: -39.548
tors. eta vs tors. theta energy: -63.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -794.822839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.822839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.822839 (E_RNA)
where:
Base-Base interactions energy: -552.033
where: short stacking energy: -233.105
Base-Backbone interact. energy: 0.962
local terms energy: -243.751043
where:
bonds (distance) C4'-P energy: -52.713
bonds (distance) P-C4' energy: -47.989
flat angles C4'-P-C4' energy: -50.607
flat angles P-C4'-P energy: -30.571
tors. eta vs tors. theta energy: -61.870
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: 5
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -761.268200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.268200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.268200 (E_RNA)
where:
Base-Base interactions energy: -521.330
where: short stacking energy: -203.700
Base-Backbone interact. energy: 3.355
local terms energy: -243.293414
where:
bonds (distance) C4'-P energy: -50.163
bonds (distance) P-C4' energy: -51.806
flat angles C4'-P-C4' energy: -54.301
flat angles P-C4'-P energy: -33.979
tors. eta vs tors. theta energy: -53.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -729.681252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.681252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.681252 (E_RNA)
where:
Base-Base interactions energy: -485.393
where: short stacking energy: -198.735
Base-Backbone interact. energy: -0.437
local terms energy: -243.851258
where:
bonds (distance) C4'-P energy: -49.839
bonds (distance) P-C4' energy: -49.434
flat angles C4'-P-C4' energy: -50.403
flat angles P-C4'-P energy: -38.817
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: 3
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -728.253983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.253983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.253983 (E_RNA)
where:
Base-Base interactions energy: -488.256
where: short stacking energy: -197.081
Base-Backbone interact. energy: -0.484
local terms energy: -239.514141
where:
bonds (distance) C4'-P energy: -46.633
bonds (distance) P-C4' energy: -52.095
flat angles C4'-P-C4' energy: -50.033
flat angles P-C4'-P energy: -37.175
tors. eta vs tors. theta energy: -53.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -691.736619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.736619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.736619 (E_RNA)
where:
Base-Base interactions energy: -465.590
where: short stacking energy: -192.084
Base-Backbone interact. energy: 0.208
local terms energy: -226.355268
where:
bonds (distance) C4'-P energy: -47.034
bonds (distance) P-C4' energy: -39.174
flat angles C4'-P-C4' energy: -50.632
flat angles P-C4'-P energy: -39.621
tors. eta vs tors. theta energy: -49.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -683.277047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.277047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.277047 (E_RNA)
where:
Base-Base interactions energy: -463.725
where: short stacking energy: -196.758
Base-Backbone interact. energy: 4.302
local terms energy: -223.854322
where:
bonds (distance) C4'-P energy: -46.063
bonds (distance) P-C4' energy: -41.834
flat angles C4'-P-C4' energy: -43.299
flat angles P-C4'-P energy: -39.588
tors. eta vs tors. theta energy: -53.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -564.792838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.792838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.792838 (E_RNA)
where:
Base-Base interactions energy: -362.002
where: short stacking energy: -158.015
Base-Backbone interact. energy: -0.961
local terms energy: -201.829630
where:
bonds (distance) C4'-P energy: -39.632
bonds (distance) P-C4' energy: -42.700
flat angles C4'-P-C4' energy: -52.374
flat angles P-C4'-P energy: -21.127
tors. eta vs tors. theta energy: -45.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -896.388792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.388792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.388792 (E_RNA)
where:
Base-Base interactions energy: -619.586
where: short stacking energy: -277.337
Base-Backbone interact. energy: -0.484
local terms energy: -276.319351
where:
bonds (distance) C4'-P energy: -43.650
bonds (distance) P-C4' energy: -54.879
flat angles C4'-P-C4' energy: -56.835
flat angles P-C4'-P energy: -42.848
tors. eta vs tors. theta energy: -78.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -881.637718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.637718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.637718 (E_RNA)
where:
Base-Base interactions energy: -611.430
where: short stacking energy: -261.589
Base-Backbone interact. energy: -0.730
local terms energy: -269.477497
where:
bonds (distance) C4'-P energy: -50.272
bonds (distance) P-C4' energy: -52.046
flat angles C4'-P-C4' energy: -59.126
flat angles P-C4'-P energy: -32.626
tors. eta vs tors. theta energy: -75.407
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: 3, replica: 1
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -812.755345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.755345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.755345 (E_RNA)
where:
Base-Base interactions energy: -562.107
where: short stacking energy: -209.812
Base-Backbone interact. energy: -2.293
local terms energy: -248.355181
where:
bonds (distance) C4'-P energy: -51.863
bonds (distance) P-C4' energy: -53.062
flat angles C4'-P-C4' energy: -54.161
flat angles P-C4'-P energy: -39.341
tors. eta vs tors. theta energy: -49.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -788.996023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.996023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.996023 (E_RNA)
where:
Base-Base interactions energy: -559.274
where: short stacking energy: -230.608
Base-Backbone interact. energy: 1.209
local terms energy: -230.930628
where:
bonds (distance) C4'-P energy: -40.161
bonds (distance) P-C4' energy: -50.070
flat angles C4'-P-C4' energy: -47.967
flat angles P-C4'-P energy: -33.335
tors. eta vs tors. theta energy: -59.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -793.367433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.367433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.367433 (E_RNA)
where:
Base-Base interactions energy: -547.380
where: short stacking energy: -218.435
Base-Backbone interact. energy: -2.293
local terms energy: -243.694831
where:
bonds (distance) C4'-P energy: -41.864
bonds (distance) P-C4' energy: -51.964
flat angles C4'-P-C4' energy: -56.282
flat angles P-C4'-P energy: -31.612
tors. eta vs tors. theta energy: -61.972
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: 3
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -733.978584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.978584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.978584 (E_RNA)
where:
Base-Base interactions energy: -507.506
where: short stacking energy: -203.967
Base-Backbone interact. energy: -0.269
local terms energy: -226.204314
where:
bonds (distance) C4'-P energy: -51.057
bonds (distance) P-C4' energy: -46.328
flat angles C4'-P-C4' energy: -49.254
flat angles P-C4'-P energy: -22.280
tors. eta vs tors. theta energy: -57.285
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: 13
Temperature: 1.200000
Total energy: -711.265516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.265516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.265516 (E_RNA)
where:
Base-Base interactions energy: -465.138
where: short stacking energy: -199.489
Base-Backbone interact. energy: 1.771
local terms energy: -247.898658
where:
bonds (distance) C4'-P energy: -48.864
bonds (distance) P-C4' energy: -51.481
flat angles C4'-P-C4' energy: -48.130
flat angles P-C4'-P energy: -42.937
tors. eta vs tors. theta energy: -56.486
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: 6
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -723.849776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.849776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.849776 (E_RNA)
where:
Base-Base interactions energy: -501.160
where: short stacking energy: -214.823
Base-Backbone interact. energy: 2.891
local terms energy: -225.580601
where:
bonds (distance) C4'-P energy: -44.262
bonds (distance) P-C4' energy: -40.219
flat angles C4'-P-C4' energy: -55.911
flat angles P-C4'-P energy: -33.235
tors. eta vs tors. theta energy: -51.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -676.538899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.538899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.538899 (E_RNA)
where:
Base-Base interactions energy: -456.240
where: short stacking energy: -169.775
Base-Backbone interact. energy: -1.625
local terms energy: -218.673504
where:
bonds (distance) C4'-P energy: -53.514
bonds (distance) P-C4' energy: -52.367
flat angles C4'-P-C4' energy: -44.236
flat angles P-C4'-P energy: -26.028
tors. eta vs tors. theta energy: -42.529
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: 10, replica: 9
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -543.201933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.201933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.201933 (E_RNA)
where:
Base-Base interactions energy: -362.421
where: short stacking energy: -142.320
Base-Backbone interact. energy: 0.393
local terms energy: -181.174533
where:
bonds (distance) C4'-P energy: -39.438
bonds (distance) P-C4' energy: -38.514
flat angles C4'-P-C4' energy: -47.456
flat angles P-C4'-P energy: -21.373
tors. eta vs tors. theta energy: -34.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -906.874504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.874504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.874504 (E_RNA)
where:
Base-Base interactions energy: -615.786
where: short stacking energy: -283.460
Base-Backbone interact. energy: -0.389
local terms energy: -290.699489
where:
bonds (distance) C4'-P energy: -52.115
bonds (distance) P-C4' energy: -51.620
flat angles C4'-P-C4' energy: -58.827
flat angles P-C4'-P energy: -45.693
tors. eta vs tors. theta energy: -82.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -863.577067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.577067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.577067 (E_RNA)
where:
Base-Base interactions energy: -592.971
where: short stacking energy: -259.567
Base-Backbone interact. energy: -0.385
local terms energy: -270.221566
where:
bonds (distance) C4'-P energy: -52.141
bonds (distance) P-C4' energy: -47.031
flat angles C4'-P-C4' energy: -60.517
flat angles P-C4'-P energy: -41.048
tors. eta vs tors. theta energy: -69.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -822.745773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.745773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.745773 (E_RNA)
where:
Base-Base interactions energy: -586.573
where: short stacking energy: -226.324
Base-Backbone interact. energy: -1.550
local terms energy: -234.622682
where:
bonds (distance) C4'-P energy: -53.416
bonds (distance) P-C4' energy: -39.048
flat angles C4'-P-C4' energy: -55.482
flat angles P-C4'-P energy: -29.910
tors. eta vs tors. theta energy: -56.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -821.990722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.990722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.990722 (E_RNA)
where:
Base-Base interactions energy: -562.348
where: short stacking energy: -247.097
Base-Backbone interact. energy: -0.780
local terms energy: -258.863016
where:
bonds (distance) C4'-P energy: -37.759
bonds (distance) P-C4' energy: -53.580
flat angles C4'-P-C4' energy: -55.646
flat angles P-C4'-P energy: -43.162
tors. eta vs tors. theta energy: -68.715
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: 5
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -797.111598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.111598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.111598 (E_RNA)
where:
Base-Base interactions energy: -547.537
where: short stacking energy: -223.319
Base-Backbone interact. energy: -2.700
local terms energy: -246.874462
where:
bonds (distance) C4'-P energy: -41.974
bonds (distance) P-C4' energy: -49.566
flat angles C4'-P-C4' energy: -59.056
flat angles P-C4'-P energy: -36.738
tors. eta vs tors. theta energy: -59.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -751.358623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.358623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.358623 (E_RNA)
where:
Base-Base interactions energy: -507.653
where: short stacking energy: -200.668
Base-Backbone interact. energy: 0.074
local terms energy: -243.779323
where:
bonds (distance) C4'-P energy: -47.827
bonds (distance) P-C4' energy: -42.974
flat angles C4'-P-C4' energy: -58.470
flat angles P-C4'-P energy: -37.040
tors. eta vs tors. theta energy: -57.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -754.044462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.044462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.044462 (E_RNA)
where:
Base-Base interactions energy: -509.134
where: short stacking energy: -211.348
Base-Backbone interact. energy: -1.383
local terms energy: -243.527456
where:
bonds (distance) C4'-P energy: -41.003
bonds (distance) P-C4' energy: -56.613
flat angles C4'-P-C4' energy: -48.398
flat angles P-C4'-P energy: -34.054
tors. eta vs tors. theta energy: -63.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -685.833178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.833178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.833178 (E_RNA)
where:
Base-Base interactions energy: -461.476
where: short stacking energy: -171.980
Base-Backbone interact. energy: 0.306
local terms energy: -224.663420
where:
bonds (distance) C4'-P energy: -51.769
bonds (distance) P-C4' energy: -51.588
flat angles C4'-P-C4' energy: -41.253
flat angles P-C4'-P energy: -34.008
tors. eta vs tors. theta energy: -46.047
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: 14
Temperature: 1.300000
Total energy: -690.319311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.319311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.319311 (E_RNA)
where:
Base-Base interactions energy: -477.913
where: short stacking energy: -200.580
Base-Backbone interact. energy: 0.002
local terms energy: -212.408379
where:
bonds (distance) C4'-P energy: -38.740
bonds (distance) P-C4' energy: -36.982
flat angles C4'-P-C4' energy: -47.782
flat angles P-C4'-P energy: -33.550
tors. eta vs tors. theta energy: -55.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -515.179203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.179203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.179203 (E_RNA)
where:
Base-Base interactions energy: -335.971
where: short stacking energy: -147.081
Base-Backbone interact. energy: -1.791
local terms energy: -177.417193
where:
bonds (distance) C4'-P energy: -45.501
bonds (distance) P-C4' energy: -38.688
flat angles C4'-P-C4' energy: -30.215
flat angles P-C4'-P energy: -32.713
tors. eta vs tors. theta energy: -30.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -885.818423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.818423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.818423 (E_RNA)
where:
Base-Base interactions energy: -602.727
where: short stacking energy: -255.689
Base-Backbone interact. energy: -0.068
local terms energy: -283.023166
where:
bonds (distance) C4'-P energy: -56.180
bonds (distance) P-C4' energy: -52.787
flat angles C4'-P-C4' energy: -57.056
flat angles P-C4'-P energy: -46.510
tors. eta vs tors. theta energy: -70.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -884.552156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.552156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.552156 (E_RNA)
where:
Base-Base interactions energy: -609.108
where: short stacking energy: -247.994
Base-Backbone interact. energy: -1.131
local terms energy: -274.312410
where:
bonds (distance) C4'-P energy: -52.396
bonds (distance) P-C4' energy: -60.969
flat angles C4'-P-C4' energy: -54.054
flat angles P-C4'-P energy: -37.019
tors. eta vs tors. theta energy: -69.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -837.677042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.677042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.677042 (E_RNA)
where:
Base-Base interactions energy: -582.774
where: short stacking energy: -242.611
Base-Backbone interact. energy: -0.317
local terms energy: -254.586203
where:
bonds (distance) C4'-P energy: -49.239
bonds (distance) P-C4' energy: -45.610
flat angles C4'-P-C4' energy: -57.190
flat angles P-C4'-P energy: -37.039
tors. eta vs tors. theta energy: -65.510
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: 4, replica: 5
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -808.772456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.772456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.772456 (E_RNA)
where:
Base-Base interactions energy: -567.499
where: short stacking energy: -243.679
Base-Backbone interact. energy: 2.402
local terms energy: -243.675924
where:
bonds (distance) C4'-P energy: -36.107
bonds (distance) P-C4' energy: -53.085
flat angles C4'-P-C4' energy: -53.604
flat angles P-C4'-P energy: -40.427
tors. eta vs tors. theta energy: -60.453
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: 7
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -792.143581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.143581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.143581 (E_RNA)
where:
Base-Base interactions energy: -546.406
where: short stacking energy: -223.948
Base-Backbone interact. energy: -0.620
local terms energy: -245.117170
where:
bonds (distance) C4'-P energy: -48.649
bonds (distance) P-C4' energy: -48.005
flat angles C4'-P-C4' energy: -47.926
flat angles P-C4'-P energy: -37.692
tors. eta vs tors. theta energy: -62.845
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: 15
Temperature: 1.150000
Total energy: -774.036445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.036445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.036445 (E_RNA)
where:
Base-Base interactions energy: -536.181
where: short stacking energy: -217.916
Base-Backbone interact. energy: -1.827
local terms energy: -236.028449
where:
bonds (distance) C4'-P energy: -45.834
bonds (distance) P-C4' energy: -44.982
flat angles C4'-P-C4' energy: -41.352
flat angles P-C4'-P energy: -37.587
tors. eta vs tors. theta energy: -66.273
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: 3
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -726.366145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.366145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.366145 (E_RNA)
where:
Base-Base interactions energy: -500.371
where: short stacking energy: -202.635
Base-Backbone interact. energy: -1.403
local terms energy: -224.591954
where:
bonds (distance) C4'-P energy: -45.443
bonds (distance) P-C4' energy: -45.142
flat angles C4'-P-C4' energy: -43.085
flat angles P-C4'-P energy: -35.330
tors. eta vs tors. theta energy: -55.592
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: 8
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -691.101552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.101552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.101552 (E_RNA)
where:
Base-Base interactions energy: -470.205
where: short stacking energy: -184.340
Base-Backbone interact. energy: 1.196
local terms energy: -222.092735
where:
bonds (distance) C4'-P energy: -39.618
bonds (distance) P-C4' energy: -39.689
flat angles C4'-P-C4' energy: -49.877
flat angles P-C4'-P energy: -42.312
tors. eta vs tors. theta energy: -50.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -655.199787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.199787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.199787 (E_RNA)
where:
Base-Base interactions energy: -443.967
where: short stacking energy: -185.847
Base-Backbone interact. energy: -2.284
local terms energy: -208.949214
where:
bonds (distance) C4'-P energy: -34.382
bonds (distance) P-C4' energy: -49.671
flat angles C4'-P-C4' energy: -46.287
flat angles P-C4'-P energy: -33.468
tors. eta vs tors. theta energy: -45.142
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: 15
Temperature: 1.350000
Total energy: -549.952406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.952406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.952406 (E_RNA)
where:
Base-Base interactions energy: -368.022
where: short stacking energy: -145.113
Base-Backbone interact. energy: 1.516
local terms energy: -183.446419
where:
bonds (distance) C4'-P energy: -38.391
bonds (distance) P-C4' energy: -39.457
flat angles C4'-P-C4' energy: -35.872
flat angles P-C4'-P energy: -37.250
tors. eta vs tors. theta energy: -32.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -892.562436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.562436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.562436 (E_RNA)
where:
Base-Base interactions energy: -621.706
where: short stacking energy: -271.960
Base-Backbone interact. energy: 5.067
local terms energy: -275.923631
where:
bonds (distance) C4'-P energy: -54.271
bonds (distance) P-C4' energy: -39.600
flat angles C4'-P-C4' energy: -64.324
flat angles P-C4'-P energy: -45.275
tors. eta vs tors. theta energy: -72.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -864.002614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.002614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.002614 (E_RNA)
where:
Base-Base interactions energy: -593.916
where: short stacking energy: -258.556
Base-Backbone interact. energy: 2.221
local terms energy: -272.307760
where:
bonds (distance) C4'-P energy: -47.765
bonds (distance) P-C4' energy: -55.154
flat angles C4'-P-C4' energy: -55.628
flat angles P-C4'-P energy: -36.549
tors. eta vs tors. theta energy: -77.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -850.945659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.945659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.945659 (E_RNA)
where:
Base-Base interactions energy: -585.832
where: short stacking energy: -246.460
Base-Backbone interact. energy: -0.741
local terms energy: -264.372938
where:
bonds (distance) C4'-P energy: -44.325
bonds (distance) P-C4' energy: -56.732
flat angles C4'-P-C4' energy: -56.639
flat angles P-C4'-P energy: -46.031
tors. eta vs tors. theta energy: -60.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -852.556165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.556165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.556165 (E_RNA)
where:
Base-Base interactions energy: -575.604
where: short stacking energy: -234.737
Base-Backbone interact. energy: -1.765
local terms energy: -275.187221
where:
bonds (distance) C4'-P energy: -54.231
bonds (distance) P-C4' energy: -58.017
flat angles C4'-P-C4' energy: -59.294
flat angles P-C4'-P energy: -40.092
tors. eta vs tors. theta energy: -63.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -786.418993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.418993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.418993 (E_RNA)
where:
Base-Base interactions energy: -558.083
where: short stacking energy: -233.984
Base-Backbone interact. energy: -3.300
local terms energy: -225.036593
where:
bonds (distance) C4'-P energy: -42.738
bonds (distance) P-C4' energy: -36.602
flat angles C4'-P-C4' energy: -51.893
flat angles P-C4'-P energy: -29.365
tors. eta vs tors. theta energy: -64.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -767.532656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.532656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.532656 (E_RNA)
where:
Base-Base interactions energy: -528.211
where: short stacking energy: -211.874
Base-Backbone interact. energy: 2.285
local terms energy: -241.606806
where:
bonds (distance) C4'-P energy: -49.398
bonds (distance) P-C4' energy: -42.415
flat angles C4'-P-C4' energy: -57.307
flat angles P-C4'-P energy: -33.941
tors. eta vs tors. theta energy: -58.545
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: 3
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -726.176524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.176524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.176524 (E_RNA)
where:
Base-Base interactions energy: -509.463
where: short stacking energy: -197.362
Base-Backbone interact. energy: 1.016
local terms energy: -217.729891
where:
bonds (distance) C4'-P energy: -48.762
bonds (distance) P-C4' energy: -41.667
flat angles C4'-P-C4' energy: -40.796
flat angles P-C4'-P energy: -39.623
tors. eta vs tors. theta energy: -46.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -684.666414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.666414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.666414 (E_RNA)
where:
Base-Base interactions energy: -475.206
where: short stacking energy: -196.759
Base-Backbone interact. energy: 1.518
local terms energy: -210.978592
where:
bonds (distance) C4'-P energy: -50.513
bonds (distance) P-C4' energy: -42.133
flat angles C4'-P-C4' energy: -47.558
flat angles P-C4'-P energy: -27.573
tors. eta vs tors. theta energy: -43.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -621.018899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.018899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.018899 (E_RNA)
where:
Base-Base interactions energy: -432.684
where: short stacking energy: -164.462
Base-Backbone interact. energy: -1.055
local terms energy: -187.280627
where:
bonds (distance) C4'-P energy: -36.170
bonds (distance) P-C4' energy: -48.992
flat angles C4'-P-C4' energy: -35.900
flat angles P-C4'-P energy: -30.823
tors. eta vs tors. theta energy: -35.396
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: 16
Temperature: 1.350000
Total energy: -559.277845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.277845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.277845 (E_RNA)
where:
Base-Base interactions energy: -365.247
where: short stacking energy: -151.623
Base-Backbone interact. energy: 0.896
local terms energy: -194.927049
where:
bonds (distance) C4'-P energy: -49.551
bonds (distance) P-C4' energy: -51.315
flat angles C4'-P-C4' energy: -37.945
flat angles P-C4'-P energy: -20.900
tors. eta vs tors. theta energy: -35.215
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: 1, replica: 4
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -901.115006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.115006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.115006 (E_RNA)
where:
Base-Base interactions energy: -620.877
where: short stacking energy: -280.790
Base-Backbone interact. energy: 2.067
local terms energy: -282.305017
where:
bonds (distance) C4'-P energy: -54.107
bonds (distance) P-C4' energy: -50.468
flat angles C4'-P-C4' energy: -63.595
flat angles P-C4'-P energy: -35.678
tors. eta vs tors. theta energy: -78.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -871.249458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.249458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.249458 (E_RNA)
where:
Base-Base interactions energy: -608.970
where: short stacking energy: -261.169
Base-Backbone interact. energy: -1.240
local terms energy: -261.039213
where:
bonds (distance) C4'-P energy: -42.274
bonds (distance) P-C4' energy: -52.434
flat angles C4'-P-C4' energy: -57.451
flat angles P-C4'-P energy: -39.465
tors. eta vs tors. theta energy: -69.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -865.492369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.492369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.492369 (E_RNA)
where:
Base-Base interactions energy: -596.458
where: short stacking energy: -238.801
Base-Backbone interact. energy: -0.303
local terms energy: -268.731442
where:
bonds (distance) C4'-P energy: -50.556
bonds (distance) P-C4' energy: -52.841
flat angles C4'-P-C4' energy: -58.000
flat angles P-C4'-P energy: -41.053
tors. eta vs tors. theta energy: -66.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -845.303597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.303597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.303597 (E_RNA)
where:
Base-Base interactions energy: -583.435
where: short stacking energy: -229.324
Base-Backbone interact. energy: -0.369
local terms energy: -261.499526
where:
bonds (distance) C4'-P energy: -56.356
bonds (distance) P-C4' energy: -51.618
flat angles C4'-P-C4' energy: -54.359
flat angles P-C4'-P energy: -33.669
tors. eta vs tors. theta energy: -65.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -808.909332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.909332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.909332 (E_RNA)
where:
Base-Base interactions energy: -559.682
where: short stacking energy: -240.762
Base-Backbone interact. energy: -0.413
local terms energy: -248.814616
where:
bonds (distance) C4'-P energy: -47.024
bonds (distance) P-C4' energy: -50.742
flat angles C4'-P-C4' energy: -44.551
flat angles P-C4'-P energy: -33.493
tors. eta vs tors. theta energy: -73.004
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: 6, replica: 7
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -783.880741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.880741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.880741 (E_RNA)
where:
Base-Base interactions energy: -552.274
where: short stacking energy: -227.858
Base-Backbone interact. energy: -0.552
local terms energy: -231.054808
where:
bonds (distance) C4'-P energy: -34.068
bonds (distance) P-C4' energy: -45.537
flat angles C4'-P-C4' energy: -49.701
flat angles P-C4'-P energy: -43.237
tors. eta vs tors. theta energy: -58.512
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: 3
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -726.755016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.755016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.755016 (E_RNA)
where:
Base-Base interactions energy: -503.419
where: short stacking energy: -212.951
Base-Backbone interact. energy: 1.885
local terms energy: -225.220240
where:
bonds (distance) C4'-P energy: -44.693
bonds (distance) P-C4' energy: -44.941
flat angles C4'-P-C4' energy: -47.743
flat angles P-C4'-P energy: -31.475
tors. eta vs tors. theta energy: -56.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -721.476789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.476789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.476789 (E_RNA)
where:
Base-Base interactions energy: -491.013
where: short stacking energy: -195.085
Base-Backbone interact. energy: -1.696
local terms energy: -228.767575
where:
bonds (distance) C4'-P energy: -43.172
bonds (distance) P-C4' energy: -51.198
flat angles C4'-P-C4' energy: -49.905
flat angles P-C4'-P energy: -36.023
tors. eta vs tors. theta energy: -48.469
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: 6
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -604.084962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.084962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.084962 (E_RNA)
where:
Base-Base interactions energy: -427.652
where: short stacking energy: -167.847
Base-Backbone interact. energy: 4.363
local terms energy: -180.796388
where:
bonds (distance) C4'-P energy: -42.713
bonds (distance) P-C4' energy: -42.481
flat angles C4'-P-C4' energy: -37.185
flat angles P-C4'-P energy: -29.533
tors. eta vs tors. theta energy: -28.885
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: 17
Temperature: 1.350000
Total energy: -460.435338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.435338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.435338 (E_RNA)
where:
Base-Base interactions energy: -292.331
where: short stacking energy: -120.557
Base-Backbone interact. energy: 0.095
local terms energy: -168.199282
where:
bonds (distance) C4'-P energy: -44.786
bonds (distance) P-C4' energy: -40.939
flat angles C4'-P-C4' energy: -38.037
flat angles P-C4'-P energy: -29.431
tors. eta vs tors. theta energy: -15.007
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: 18
Temperature: 0.900000
Total energy: -889.575912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.575912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.575912 (E_RNA)
where:
Base-Base interactions energy: -618.949
where: short stacking energy: -262.502
Base-Backbone interact. energy: -1.299
local terms energy: -269.327792
where:
bonds (distance) C4'-P energy: -55.570
bonds (distance) P-C4' energy: -46.348
flat angles C4'-P-C4' energy: -62.414
flat angles P-C4'-P energy: -34.559
tors. eta vs tors. theta energy: -70.437
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: 4
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -889.167817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.167817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.167817 (E_RNA)
where:
Base-Base interactions energy: -620.932
where: short stacking energy: -261.250
Base-Backbone interact. energy: -1.602
local terms energy: -266.634272
where:
bonds (distance) C4'-P energy: -49.106
bonds (distance) P-C4' energy: -49.261
flat angles C4'-P-C4' energy: -59.557
flat angles P-C4'-P energy: -38.197
tors. eta vs tors. theta energy: -70.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -890.099666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.099666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.099666 (E_RNA)
where:
Base-Base interactions energy: -636.705
where: short stacking energy: -237.689
Base-Backbone interact. energy: 0.724
local terms energy: -254.119308
where:
bonds (distance) C4'-P energy: -44.591
bonds (distance) P-C4' energy: -44.790
flat angles C4'-P-C4' energy: -61.182
flat angles P-C4'-P energy: -45.395
tors. eta vs tors. theta energy: -58.163
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: 2
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -832.879345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.879345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.879345 (E_RNA)
where:
Base-Base interactions energy: -576.576
where: short stacking energy: -229.442
Base-Backbone interact. energy: -1.610
local terms energy: -254.693269
where:
bonds (distance) C4'-P energy: -49.233
bonds (distance) P-C4' energy: -48.608
flat angles C4'-P-C4' energy: -54.017
flat angles P-C4'-P energy: -39.551
tors. eta vs tors. theta energy: -63.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -809.164821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.164821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.164821 (E_RNA)
where:
Base-Base interactions energy: -551.175
where: short stacking energy: -232.444
Base-Backbone interact. energy: -0.225
local terms energy: -257.764825
where:
bonds (distance) C4'-P energy: -48.852
bonds (distance) P-C4' energy: -53.915
flat angles C4'-P-C4' energy: -43.739
flat angles P-C4'-P energy: -40.735
tors. eta vs tors. theta energy: -70.524
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: 7
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -769.412098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.412098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.412098 (E_RNA)
where:
Base-Base interactions energy: -522.445
where: short stacking energy: -228.239
Base-Backbone interact. energy: -1.149
local terms energy: -245.817795
where:
bonds (distance) C4'-P energy: -48.792
bonds (distance) P-C4' energy: -50.754
flat angles C4'-P-C4' energy: -47.243
flat angles P-C4'-P energy: -35.259
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: 7, replica: 8
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -721.849669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.849669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.849669 (E_RNA)
where:
Base-Base interactions energy: -505.183
where: short stacking energy: -216.388
Base-Backbone interact. energy: 0.147
local terms energy: -216.813168
where:
bonds (distance) C4'-P energy: -40.350
bonds (distance) P-C4' energy: -35.985
flat angles C4'-P-C4' energy: -49.319
flat angles P-C4'-P energy: -34.232
tors. eta vs tors. theta energy: -56.927
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: 3
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -729.829717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.829717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.829717 (E_RNA)
where:
Base-Base interactions energy: -501.358
where: short stacking energy: -202.175
Base-Backbone interact. energy: -0.197
local terms energy: -228.274851
where:
bonds (distance) C4'-P energy: -37.475
bonds (distance) P-C4' energy: -48.611
flat angles C4'-P-C4' energy: -56.425
flat angles P-C4'-P energy: -36.567
tors. eta vs tors. theta energy: -49.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -619.872430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.872430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.872430 (E_RNA)
where:
Base-Base interactions energy: -415.380
where: short stacking energy: -178.167
Base-Backbone interact. energy: -0.446
local terms energy: -204.046598
where:
bonds (distance) C4'-P energy: -37.281
bonds (distance) P-C4' energy: -50.458
flat angles C4'-P-C4' energy: -45.228
flat angles P-C4'-P energy: -27.472
tors. eta vs tors. theta energy: -43.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -461.984001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.984001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.984001 (E_RNA)
where:
Base-Base interactions energy: -289.787
where: short stacking energy: -136.961
Base-Backbone interact. energy: -1.726
local terms energy: -170.470145
where:
bonds (distance) C4'-P energy: -44.068
bonds (distance) P-C4' energy: -35.621
flat angles C4'-P-C4' energy: -44.528
flat angles P-C4'-P energy: -27.123
tors. eta vs tors. theta energy: -19.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -907.279915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.279915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.279915 (E_RNA)
where:
Base-Base interactions energy: -617.540
where: short stacking energy: -249.896
Base-Backbone interact. energy: -0.558
local terms energy: -289.181965
where:
bonds (distance) C4'-P energy: -54.083
bonds (distance) P-C4' energy: -61.212
flat angles C4'-P-C4' energy: -60.099
flat angles P-C4'-P energy: -44.200
tors. eta vs tors. theta energy: -69.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -888.836836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.836836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.836836 (E_RNA)
where:
Base-Base interactions energy: -631.332
where: short stacking energy: -254.436
Base-Backbone interact. energy: -2.398
local terms energy: -255.107110
where:
bonds (distance) C4'-P energy: -45.102
bonds (distance) P-C4' energy: -48.692
flat angles C4'-P-C4' energy: -57.680
flat angles P-C4'-P energy: -38.728
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: 3, replica: 4
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -871.275925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.275925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.275925 (E_RNA)
where:
Base-Base interactions energy: -605.953
where: short stacking energy: -260.277
Base-Backbone interact. energy: 1.581
local terms energy: -266.904721
where:
bonds (distance) C4'-P energy: -50.436
bonds (distance) P-C4' energy: -44.085
flat angles C4'-P-C4' energy: -59.811
flat angles P-C4'-P energy: -41.228
tors. eta vs tors. theta energy: -71.344
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: 2
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -841.063303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.063303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.063303 (E_RNA)
where:
Base-Base interactions energy: -587.997
where: short stacking energy: -242.776
Base-Backbone interact. energy: -0.615
local terms energy: -252.451002
where:
bonds (distance) C4'-P energy: -52.966
bonds (distance) P-C4' energy: -50.458
flat angles C4'-P-C4' energy: -53.419
flat angles P-C4'-P energy: -31.881
tors. eta vs tors. theta energy: -63.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -802.430820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.430820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.430820 (E_RNA)
where:
Base-Base interactions energy: -549.613
where: short stacking energy: -239.826
Base-Backbone interact. energy: -1.773
local terms energy: -251.043866
where:
bonds (distance) C4'-P energy: -44.083
bonds (distance) P-C4' energy: -51.674
flat angles C4'-P-C4' energy: -50.737
flat angles P-C4'-P energy: -38.279
tors. eta vs tors. theta energy: -66.271
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: 6, replica: 7
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -747.349970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.349970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.349970 (E_RNA)
where:
Base-Base interactions energy: -524.138
where: short stacking energy: -219.120
Base-Backbone interact. energy: -0.064
local terms energy: -223.148407
where:
bonds (distance) C4'-P energy: -49.428
bonds (distance) P-C4' energy: -42.899
flat angles C4'-P-C4' energy: -47.137
flat angles P-C4'-P energy: -27.000
tors. eta vs tors. theta energy: -56.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -730.700832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.700832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.700832 (E_RNA)
where:
Base-Base interactions energy: -508.018
where: short stacking energy: -202.597
Base-Backbone interact. energy: -3.023
local terms energy: -219.659570
where:
bonds (distance) C4'-P energy: -35.882
bonds (distance) P-C4' energy: -54.167
flat angles C4'-P-C4' energy: -53.433
flat angles P-C4'-P energy: -26.891
tors. eta vs tors. theta energy: -49.286
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: 3
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -705.702191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.702191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.702191 (E_RNA)
where:
Base-Base interactions energy: -495.965
where: short stacking energy: -193.292
Base-Backbone interact. energy: -0.583
local terms energy: -209.153770
where:
bonds (distance) C4'-P energy: -44.039
bonds (distance) P-C4' energy: -42.776
flat angles C4'-P-C4' energy: -48.537
flat angles P-C4'-P energy: -27.348
tors. eta vs tors. theta energy: -46.454
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: 6
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -629.940774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.940774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.940774 (E_RNA)
where:
Base-Base interactions energy: -427.455
where: short stacking energy: -170.593
Base-Backbone interact. energy: 0.346
local terms energy: -202.832190
where:
bonds (distance) C4'-P energy: -36.892
bonds (distance) P-C4' energy: -48.587
flat angles C4'-P-C4' energy: -49.981
flat angles P-C4'-P energy: -30.144
tors. eta vs tors. theta energy: -37.229
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: 19
Temperature: 1.350000
Total energy: -451.201904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.201904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.201904 (E_RNA)
where:
Base-Base interactions energy: -271.621
where: short stacking energy: -115.795
Base-Backbone interact. energy: 0.758
local terms energy: -180.339033
where:
bonds (distance) C4'-P energy: -49.073
bonds (distance) P-C4' energy: -41.447
flat angles C4'-P-C4' energy: -39.771
flat angles P-C4'-P energy: -31.114
tors. eta vs tors. theta energy: -18.933
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: 20
Temperature: 0.900000
Total energy: -921.024498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.024498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.024498 (E_RNA)
where:
Base-Base interactions energy: -648.062
where: short stacking energy: -258.662
Base-Backbone interact. energy: -2.973
local terms energy: -269.989817
where:
bonds (distance) C4'-P energy: -47.009
bonds (distance) P-C4' energy: -52.901
flat angles C4'-P-C4' energy: -59.784
flat angles P-C4'-P energy: -45.620
tors. eta vs tors. theta energy: -64.675
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: 5
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -886.180688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.180688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.180688 (E_RNA)
where:
Base-Base interactions energy: -619.287
where: short stacking energy: -246.378
Base-Backbone interact. energy: 1.247
local terms energy: -268.140776
where:
bonds (distance) C4'-P energy: -48.950
bonds (distance) P-C4' energy: -52.162
flat angles C4'-P-C4' energy: -57.888
flat angles P-C4'-P energy: -40.858
tors. eta vs tors. theta energy: -68.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -865.308046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.308046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.308046 (E_RNA)
where:
Base-Base interactions energy: -600.704
where: short stacking energy: -256.825
Base-Backbone interact. energy: -1.313
local terms energy: -263.291105
where:
bonds (distance) C4'-P energy: -42.343
bonds (distance) P-C4' energy: -56.587
flat angles C4'-P-C4' energy: -54.552
flat angles P-C4'-P energy: -34.916
tors. eta vs tors. theta energy: -74.893
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: 4, replica: 2
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -846.809419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.809419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.809419 (E_RNA)
where:
Base-Base interactions energy: -590.601
where: short stacking energy: -260.472
Base-Backbone interact. energy: -1.851
local terms energy: -254.357186
where:
bonds (distance) C4'-P energy: -44.063
bonds (distance) P-C4' energy: -48.049
flat angles C4'-P-C4' energy: -53.886
flat angles P-C4'-P energy: -34.152
tors. eta vs tors. theta energy: -74.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -793.617079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.617079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.617079 (E_RNA)
where:
Base-Base interactions energy: -550.427
where: short stacking energy: -228.924
Base-Backbone interact. energy: -0.649
local terms energy: -242.541524
where:
bonds (distance) C4'-P energy: -45.324
bonds (distance) P-C4' energy: -50.305
flat angles C4'-P-C4' energy: -46.106
flat angles P-C4'-P energy: -41.373
tors. eta vs tors. theta energy: -59.434
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: 6, replica: 7
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -770.800078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.800078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.800078 (E_RNA)
where:
Base-Base interactions energy: -542.577
where: short stacking energy: -215.951
Base-Backbone interact. energy: 1.938
local terms energy: -230.160790
where:
bonds (distance) C4'-P energy: -40.914
bonds (distance) P-C4' energy: -45.544
flat angles C4'-P-C4' energy: -44.518
flat angles P-C4'-P energy: -40.252
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: 7, replica: 3
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -716.344708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.344708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.344708 (E_RNA)
where:
Base-Base interactions energy: -492.765
where: short stacking energy: -194.713
Base-Backbone interact. energy: 1.061
local terms energy: -224.640970
where:
bonds (distance) C4'-P energy: -50.060
bonds (distance) P-C4' energy: -52.125
flat angles C4'-P-C4' energy: -43.301
flat angles P-C4'-P energy: -25.370
tors. eta vs tors. theta energy: -53.784
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: 8
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -699.759629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.759629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.759629 (E_RNA)
where:
Base-Base interactions energy: -470.916
where: short stacking energy: -200.789
Base-Backbone interact. energy: -0.674
local terms energy: -228.168957
where:
bonds (distance) C4'-P energy: -46.913
bonds (distance) P-C4' energy: -43.761
flat angles C4'-P-C4' energy: -52.407
flat angles P-C4'-P energy: -32.826
tors. eta vs tors. theta energy: -52.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -600.941140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.941140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.941140 (E_RNA)
where:
Base-Base interactions energy: -400.161
where: short stacking energy: -183.381
Base-Backbone interact. energy: -0.224
local terms energy: -200.556111
where:
bonds (distance) C4'-P energy: -37.676
bonds (distance) P-C4' energy: -40.202
flat angles C4'-P-C4' energy: -47.949
flat angles P-C4'-P energy: -29.469
tors. eta vs tors. theta energy: -45.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -476.588546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.588546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.588546 (E_RNA)
where:
Base-Base interactions energy: -308.083
where: short stacking energy: -134.035
Base-Backbone interact. energy: -0.334
local terms energy: -168.171312
where:
bonds (distance) C4'-P energy: -40.080
bonds (distance) P-C4' energy: -50.493
flat angles C4'-P-C4' energy: -30.852
flat angles P-C4'-P energy: -26.579
tors. eta vs tors. theta energy: -20.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -896.797625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.797625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.797625 (E_RNA)
where:
Base-Base interactions energy: -630.504
where: short stacking energy: -245.925
Base-Backbone interact. energy: 3.031
local terms energy: -269.325086
where:
bonds (distance) C4'-P energy: -60.418
bonds (distance) P-C4' energy: -49.254
flat angles C4'-P-C4' energy: -57.725
flat angles P-C4'-P energy: -43.528
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: 2, replica: 4
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -867.975280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.975280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.975280 (E_RNA)
where:
Base-Base interactions energy: -589.713
where: short stacking energy: -265.706
Base-Backbone interact. energy: -0.414
local terms energy: -277.847481
where:
bonds (distance) C4'-P energy: -51.503
bonds (distance) P-C4' energy: -50.691
flat angles C4'-P-C4' energy: -62.417
flat angles P-C4'-P energy: -35.310
tors. eta vs tors. theta energy: -77.927
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: 5
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -866.312502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.312502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.312502 (E_RNA)
where:
Base-Base interactions energy: -604.233
where: short stacking energy: -245.070
Base-Backbone interact. energy: -0.554
local terms energy: -261.525490
where:
bonds (distance) C4'-P energy: -52.340
bonds (distance) P-C4' energy: -47.398
flat angles C4'-P-C4' energy: -57.257
flat angles P-C4'-P energy: -39.046
tors. eta vs tors. theta energy: -65.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -843.342564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.342564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.342564 (E_RNA)
where:
Base-Base interactions energy: -570.004
where: short stacking energy: -251.519
Base-Backbone interact. energy: -0.491
local terms energy: -272.847443
where:
bonds (distance) C4'-P energy: -48.307
bonds (distance) P-C4' energy: -51.561
flat angles C4'-P-C4' energy: -58.764
flat angles P-C4'-P energy: -37.449
tors. eta vs tors. theta energy: -76.768
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: 21
Temperature: 1.100000
Total energy: -800.509227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.509227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.509227 (E_RNA)
where:
Base-Base interactions energy: -558.061
where: short stacking energy: -240.129
Base-Backbone interact. energy: -0.334
local terms energy: -242.113953
where:
bonds (distance) C4'-P energy: -46.807
bonds (distance) P-C4' energy: -42.981
flat angles C4'-P-C4' energy: -49.741
flat angles P-C4'-P energy: -36.670
tors. eta vs tors. theta energy: -65.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -760.451499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.451499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.451499 (E_RNA)
where:
Base-Base interactions energy: -496.797
where: short stacking energy: -222.060
Base-Backbone interact. energy: -0.777
local terms energy: -262.877108
where:
bonds (distance) C4'-P energy: -53.505
bonds (distance) P-C4' energy: -47.749
flat angles C4'-P-C4' energy: -50.963
flat angles P-C4'-P energy: -40.804
tors. eta vs tors. theta energy: -69.856
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: 21
Temperature: 1.200000
Total energy: -761.386544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.386544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.386544 (E_RNA)
where:
Base-Base interactions energy: -537.891
where: short stacking energy: -203.124
Base-Backbone interact. energy: -1.553
local terms energy: -221.941951
where:
bonds (distance) C4'-P energy: -33.134
bonds (distance) P-C4' energy: -41.618
flat angles C4'-P-C4' energy: -54.575
flat angles P-C4'-P energy: -37.127
tors. eta vs tors. theta energy: -55.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -712.996929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.996929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.996929 (E_RNA)
where:
Base-Base interactions energy: -493.875
where: short stacking energy: -204.308
Base-Backbone interact. energy: -2.015
local terms energy: -217.106855
where:
bonds (distance) C4'-P energy: -49.891
bonds (distance) P-C4' energy: -49.694
flat angles C4'-P-C4' energy: -41.568
flat angles P-C4'-P energy: -29.509
tors. eta vs tors. theta energy: -46.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -652.093577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.093577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.093577 (E_RNA)
where:
Base-Base interactions energy: -445.377
where: short stacking energy: -178.910
Base-Backbone interact. energy: -0.157
local terms energy: -206.559347
where:
bonds (distance) C4'-P energy: -37.503
bonds (distance) P-C4' energy: -40.528
flat angles C4'-P-C4' energy: -45.309
flat angles P-C4'-P energy: -43.971
tors. eta vs tors. theta energy: -39.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -485.985875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.985875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.985875 (E_RNA)
where:
Base-Base interactions energy: -306.414
where: short stacking energy: -135.802
Base-Backbone interact. energy: 1.288
local terms energy: -180.859912
where:
bonds (distance) C4'-P energy: -43.493
bonds (distance) P-C4' energy: -48.480
flat angles C4'-P-C4' energy: -42.834
flat angles P-C4'-P energy: -25.802
tors. eta vs tors. theta energy: -20.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -914.285037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.285037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.285037 (E_RNA)
where:
Base-Base interactions energy: -636.073
where: short stacking energy: -260.911
Base-Backbone interact. energy: -1.562
local terms energy: -276.650245
where:
bonds (distance) C4'-P energy: -58.280
bonds (distance) P-C4' energy: -48.083
flat angles C4'-P-C4' energy: -58.305
flat angles P-C4'-P energy: -43.590
tors. eta vs tors. theta energy: -68.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -918.596322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.596322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.596322 (E_RNA)
where:
Base-Base interactions energy: -633.083
where: short stacking energy: -284.307
Base-Backbone interact. energy: -0.591
local terms energy: -284.922591
where:
bonds (distance) C4'-P energy: -52.691
bonds (distance) P-C4' energy: -55.096
flat angles C4'-P-C4' energy: -63.297
flat angles P-C4'-P energy: -35.028
tors. eta vs tors. theta energy: -78.812
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: 3, replica: 5
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -855.538455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.538455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.538455 (E_RNA)
where:
Base-Base interactions energy: -597.790
where: short stacking energy: -245.696
Base-Backbone interact. energy: -2.675
local terms energy: -255.074058
where:
bonds (distance) C4'-P energy: -46.440
bonds (distance) P-C4' energy: -49.648
flat angles C4'-P-C4' energy: -54.815
flat angles P-C4'-P energy: -42.057
tors. eta vs tors. theta energy: -62.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -845.624594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.624594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.624594 (E_RNA)
where:
Base-Base interactions energy: -566.740
where: short stacking energy: -228.598
Base-Backbone interact. energy: -0.264
local terms energy: -278.621417
where:
bonds (distance) C4'-P energy: -55.532
bonds (distance) P-C4' energy: -52.109
flat angles C4'-P-C4' energy: -56.057
flat angles P-C4'-P energy: -42.901
tors. eta vs tors. theta energy: -72.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -786.067728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.067728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.067728 (E_RNA)
where:
Base-Base interactions energy: -537.050
where: short stacking energy: -230.810
Base-Backbone interact. energy: -0.514
local terms energy: -248.503658
where:
bonds (distance) C4'-P energy: -43.250
bonds (distance) P-C4' energy: -46.575
flat angles C4'-P-C4' energy: -52.742
flat angles P-C4'-P energy: -41.069
tors. eta vs tors. theta energy: -64.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -797.376382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.376382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.376382 (E_RNA)
where:
Base-Base interactions energy: -551.021
where: short stacking energy: -239.315
Base-Backbone interact. energy: -0.799
local terms energy: -245.556305
where:
bonds (distance) C4'-P energy: -44.337
bonds (distance) P-C4' energy: -40.831
flat angles C4'-P-C4' energy: -55.955
flat angles P-C4'-P energy: -35.755
tors. eta vs tors. theta energy: -68.678
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: 8
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -719.916873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.916873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.916873 (E_RNA)
where:
Base-Base interactions energy: -497.220
where: short stacking energy: -209.221
Base-Backbone interact. energy: -0.582
local terms energy: -222.114651
where:
bonds (distance) C4'-P energy: -40.400
bonds (distance) P-C4' energy: -53.633
flat angles C4'-P-C4' energy: -50.453
flat angles P-C4'-P energy: -32.183
tors. eta vs tors. theta energy: -45.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -709.181096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.181096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.181096 (E_RNA)
where:
Base-Base interactions energy: -488.856
where: short stacking energy: -197.295
Base-Backbone interact. energy: 0.305
local terms energy: -220.629520
where:
bonds (distance) C4'-P energy: -43.424
bonds (distance) P-C4' energy: -50.830
flat angles C4'-P-C4' energy: -52.579
flat angles P-C4'-P energy: -27.569
tors. eta vs tors. theta energy: -46.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -648.998601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.998601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.998601 (E_RNA)
where:
Base-Base interactions energy: -446.353
where: short stacking energy: -182.434
Base-Backbone interact. energy: -1.211
local terms energy: -201.434369
where:
bonds (distance) C4'-P energy: -44.984
bonds (distance) P-C4' energy: -40.020
flat angles C4'-P-C4' energy: -46.974
flat angles P-C4'-P energy: -31.865
tors. eta vs tors. theta energy: -37.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -486.700340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.700340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.700340 (E_RNA)
where:
Base-Base interactions energy: -319.589
where: short stacking energy: -141.699
Base-Backbone interact. energy: -0.666
local terms energy: -166.444673
where:
bonds (distance) C4'-P energy: -27.151
bonds (distance) P-C4' energy: -49.467
flat angles C4'-P-C4' energy: -33.952
flat angles P-C4'-P energy: -30.181
tors. eta vs tors. theta energy: -25.693
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: 1
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -908.847092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.847092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.847092 (E_RNA)
where:
Base-Base interactions energy: -609.222
where: short stacking energy: -249.497
Base-Backbone interact. energy: -0.795
local terms energy: -298.830029
where:
bonds (distance) C4'-P energy: -51.259
bonds (distance) P-C4' energy: -64.561
flat angles C4'-P-C4' energy: -66.641
flat angles P-C4'-P energy: -45.627
tors. eta vs tors. theta energy: -70.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -906.621210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.621210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.621210 (E_RNA)
where:
Base-Base interactions energy: -641.772
where: short stacking energy: -273.566
Base-Backbone interact. energy: -0.843
local terms energy: -264.005579
where:
bonds (distance) C4'-P energy: -50.317
bonds (distance) P-C4' energy: -48.101
flat angles C4'-P-C4' energy: -55.089
flat angles P-C4'-P energy: -42.211
tors. eta vs tors. theta energy: -68.288
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: 3, replica: 4
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -862.794759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.794759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.794759 (E_RNA)
where:
Base-Base interactions energy: -595.544
where: short stacking energy: -258.772
Base-Backbone interact. energy: -1.067
local terms energy: -266.183930
where:
bonds (distance) C4'-P energy: -47.325
bonds (distance) P-C4' energy: -50.282
flat angles C4'-P-C4' energy: -53.256
flat angles P-C4'-P energy: -39.020
tors. eta vs tors. theta energy: -76.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -847.413308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.413308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.413308 (E_RNA)
where:
Base-Base interactions energy: -584.613
where: short stacking energy: -250.549
Base-Backbone interact. energy: -1.124
local terms energy: -261.676346
where:
bonds (distance) C4'-P energy: -44.049
bonds (distance) P-C4' energy: -46.871
flat angles C4'-P-C4' energy: -61.446
flat angles P-C4'-P energy: -42.255
tors. eta vs tors. theta energy: -67.055
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: 3
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -753.504349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.504349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.504349 (E_RNA)
where:
Base-Base interactions energy: -527.826
where: short stacking energy: -225.064
Base-Backbone interact. energy: -1.110
local terms energy: -224.569041
where:
bonds (distance) C4'-P energy: -41.223
bonds (distance) P-C4' energy: -50.350
flat angles C4'-P-C4' energy: -43.289
flat angles P-C4'-P energy: -31.306
tors. eta vs tors. theta energy: -58.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -769.616762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.616762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.616762 (E_RNA)
where:
Base-Base interactions energy: -549.537
where: short stacking energy: -218.580
Base-Backbone interact. energy: -1.744
local terms energy: -218.336195
where:
bonds (distance) C4'-P energy: -41.519
bonds (distance) P-C4' energy: -44.361
flat angles C4'-P-C4' energy: -35.247
flat angles P-C4'-P energy: -32.058
tors. eta vs tors. theta energy: -65.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -712.268947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.268947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.268947 (E_RNA)
where:
Base-Base interactions energy: -497.735
where: short stacking energy: -214.763
Base-Backbone interact. energy: -0.191
local terms energy: -214.343052
where:
bonds (distance) C4'-P energy: -33.575
bonds (distance) P-C4' energy: -41.587
flat angles C4'-P-C4' energy: -54.639
flat angles P-C4'-P energy: -32.529
tors. eta vs tors. theta energy: -52.014
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: 8, replica: 7
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -687.483648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.483648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.483648 (E_RNA)
where:
Base-Base interactions energy: -476.845
where: short stacking energy: -194.560
Base-Backbone interact. energy: 3.819
local terms energy: -214.457626
where:
bonds (distance) C4'-P energy: -42.522
bonds (distance) P-C4' energy: -41.335
flat angles C4'-P-C4' energy: -50.028
flat angles P-C4'-P energy: -32.363
tors. eta vs tors. theta energy: -48.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -617.366499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.366499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.366499 (E_RNA)
where:
Base-Base interactions energy: -414.353
where: short stacking energy: -173.805
Base-Backbone interact. energy: -0.728
local terms energy: -202.284819
where:
bonds (distance) C4'-P energy: -41.398
bonds (distance) P-C4' energy: -37.695
flat angles C4'-P-C4' energy: -47.421
flat angles P-C4'-P energy: -35.175
tors. eta vs tors. theta energy: -40.596
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: 9
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -444.545182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.545182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.545182 (E_RNA)
where:
Base-Base interactions energy: -281.994
where: short stacking energy: -117.127
Base-Backbone interact. energy: 1.083
local terms energy: -163.634614
where:
bonds (distance) C4'-P energy: -48.105
bonds (distance) P-C4' energy: -39.944
flat angles C4'-P-C4' energy: -38.179
flat angles P-C4'-P energy: -23.828
tors. eta vs tors. theta energy: -13.579
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: 1
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -893.114365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.114365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.114365 (E_RNA)
where:
Base-Base interactions energy: -623.317
where: short stacking energy: -250.707
Base-Backbone interact. energy: 0.832
local terms energy: -270.629228
where:
bonds (distance) C4'-P energy: -47.529
bonds (distance) P-C4' energy: -55.497
flat angles C4'-P-C4' energy: -55.850
flat angles P-C4'-P energy: -43.722
tors. eta vs tors. theta energy: -68.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -869.972326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.972326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.972326 (E_RNA)
where:
Base-Base interactions energy: -595.142
where: short stacking energy: -252.705
Base-Backbone interact. energy: 0.069
local terms energy: -274.899560
where:
bonds (distance) C4'-P energy: -55.656
bonds (distance) P-C4' energy: -46.433
flat angles C4'-P-C4' energy: -57.580
flat angles P-C4'-P energy: -42.956
tors. eta vs tors. theta energy: -72.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -855.759684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.759684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.759684 (E_RNA)
where:
Base-Base interactions energy: -579.034
where: short stacking energy: -253.114
Base-Backbone interact. energy: -0.158
local terms energy: -276.567521
where:
bonds (distance) C4'-P energy: -49.529
bonds (distance) P-C4' energy: -52.973
flat angles C4'-P-C4' energy: -59.588
flat angles P-C4'-P energy: -40.411
tors. eta vs tors. theta energy: -74.067
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: 2
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -818.949624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.949624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.949624 (E_RNA)
where:
Base-Base interactions energy: -553.708
where: short stacking energy: -234.944
Base-Backbone interact. energy: -0.345
local terms energy: -264.896499
where:
bonds (distance) C4'-P energy: -48.808
bonds (distance) P-C4' energy: -56.837
flat angles C4'-P-C4' energy: -49.705
flat angles P-C4'-P energy: -39.808
tors. eta vs tors. theta energy: -69.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -811.103982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.103982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.103982 (E_RNA)
where:
Base-Base interactions energy: -560.136
where: short stacking energy: -245.236
Base-Backbone interact. energy: -0.890
local terms energy: -250.078637
where:
bonds (distance) C4'-P energy: -47.688
bonds (distance) P-C4' energy: -44.622
flat angles C4'-P-C4' energy: -49.484
flat angles P-C4'-P energy: -37.018
tors. eta vs tors. theta energy: -71.266
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: 3
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -743.497326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.497326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.497326 (E_RNA)
where:
Base-Base interactions energy: -513.013
where: short stacking energy: -211.755
Base-Backbone interact. energy: 1.416
local terms energy: -231.900355
where:
bonds (distance) C4'-P energy: -49.197
bonds (distance) P-C4' energy: -45.271
flat angles C4'-P-C4' energy: -54.167
flat angles P-C4'-P energy: -29.952
tors. eta vs tors. theta energy: -53.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -684.242786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.242786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.242786 (E_RNA)
where:
Base-Base interactions energy: -467.020
where: short stacking energy: -182.090
Base-Backbone interact. energy: -1.393
local terms energy: -215.829709
where:
bonds (distance) C4'-P energy: -31.861
bonds (distance) P-C4' energy: -47.650
flat angles C4'-P-C4' energy: -61.531
flat angles P-C4'-P energy: -35.949
tors. eta vs tors. theta energy: -38.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -664.918570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.918570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.918570 (E_RNA)
where:
Base-Base interactions energy: -455.135
where: short stacking energy: -174.277
Base-Backbone interact. energy: -1.239
local terms energy: -208.545439
where:
bonds (distance) C4'-P energy: -46.277
bonds (distance) P-C4' energy: -40.013
flat angles C4'-P-C4' energy: -52.491
flat angles P-C4'-P energy: -29.072
tors. eta vs tors. theta energy: -40.693
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: 9, replica: 6
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -592.759985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.759985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.759985 (E_RNA)
where:
Base-Base interactions energy: -398.645
where: short stacking energy: -164.209
Base-Backbone interact. energy: -0.626
local terms energy: -193.488747
where:
bonds (distance) C4'-P energy: -39.502
bonds (distance) P-C4' energy: -45.481
flat angles C4'-P-C4' energy: -47.842
flat angles P-C4'-P energy: -26.843
tors. eta vs tors. theta energy: -33.821
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: 24
Temperature: 1.350000
Total energy: -507.622408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.622408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.622408 (E_RNA)
where:
Base-Base interactions energy: -316.274
where: short stacking energy: -134.353
Base-Backbone interact. energy: 0.266
local terms energy: -191.613790
where:
bonds (distance) C4'-P energy: -36.441
bonds (distance) P-C4' energy: -49.211
flat angles C4'-P-C4' energy: -42.662
flat angles P-C4'-P energy: -37.924
tors. eta vs tors. theta energy: -25.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -905.340985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.340985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.340985 (E_RNA)
where:
Base-Base interactions energy: -641.346
where: short stacking energy: -254.788
Base-Backbone interact. energy: -1.133
local terms energy: -262.862097
where:
bonds (distance) C4'-P energy: -46.826
bonds (distance) P-C4' energy: -53.093
flat angles C4'-P-C4' energy: -58.354
flat angles P-C4'-P energy: -42.611
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: 2, replica: 5
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -905.803487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.803487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.803487 (E_RNA)
where:
Base-Base interactions energy: -617.666
where: short stacking energy: -246.577
Base-Backbone interact. energy: -1.670
local terms energy: -286.467492
where:
bonds (distance) C4'-P energy: -52.035
bonds (distance) P-C4' energy: -53.374
flat angles C4'-P-C4' energy: -59.746
flat angles P-C4'-P energy: -47.345
tors. eta vs tors. theta energy: -73.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -856.678749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.678749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.678749 (E_RNA)
where:
Base-Base interactions energy: -562.134
where: short stacking energy: -241.809
Base-Backbone interact. energy: -0.006
local terms energy: -294.538766
where:
bonds (distance) C4'-P energy: -59.511
bonds (distance) P-C4' energy: -59.557
flat angles C4'-P-C4' energy: -63.776
flat angles P-C4'-P energy: -39.801
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: 4, replica: 10
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -842.859527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.859527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.859527 (E_RNA)
where:
Base-Base interactions energy: -577.545
where: short stacking energy: -234.804
Base-Backbone interact. energy: 1.076
local terms energy: -266.391172
where:
bonds (distance) C4'-P energy: -48.939
bonds (distance) P-C4' energy: -54.537
flat angles C4'-P-C4' energy: -56.250
flat angles P-C4'-P energy: -28.506
tors. eta vs tors. theta energy: -78.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -795.077395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.077395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.077395 (E_RNA)
where:
Base-Base interactions energy: -542.857
where: short stacking energy: -220.552
Base-Backbone interact. energy: -1.231
local terms energy: -250.989635
where:
bonds (distance) C4'-P energy: -48.946
bonds (distance) P-C4' energy: -48.833
flat angles C4'-P-C4' energy: -57.571
flat angles P-C4'-P energy: -31.410
tors. eta vs tors. theta energy: -64.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -734.154168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.154168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.154168 (E_RNA)
where:
Base-Base interactions energy: -498.965
where: short stacking energy: -190.304
Base-Backbone interact. energy: -0.133
local terms energy: -235.055618
where:
bonds (distance) C4'-P energy: -46.955
bonds (distance) P-C4' energy: -54.186
flat angles C4'-P-C4' energy: -55.072
flat angles P-C4'-P energy: -34.318
tors. eta vs tors. theta energy: -44.526
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: 3
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -707.739347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.739347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.739347 (E_RNA)
where:
Base-Base interactions energy: -485.130
where: short stacking energy: -195.062
Base-Backbone interact. energy: 0.121
local terms energy: -222.730214
where:
bonds (distance) C4'-P energy: -43.160
bonds (distance) P-C4' energy: -50.164
flat angles C4'-P-C4' energy: -51.625
flat angles P-C4'-P energy: -25.765
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: 8, replica: 7
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -701.530626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.530626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.530626 (E_RNA)
where:
Base-Base interactions energy: -489.495
where: short stacking energy: -208.601
Base-Backbone interact. energy: -1.014
local terms energy: -211.021214
where:
bonds (distance) C4'-P energy: -47.404
bonds (distance) P-C4' energy: -40.944
flat angles C4'-P-C4' energy: -39.880
flat angles P-C4'-P energy: -28.655
tors. eta vs tors. theta energy: -54.138
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: 6
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -564.586439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.586439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.586439 (E_RNA)
where:
Base-Base interactions energy: -362.726
where: short stacking energy: -162.327
Base-Backbone interact. energy: -0.357
local terms energy: -201.503484
where:
bonds (distance) C4'-P energy: -44.243
bonds (distance) P-C4' energy: -41.112
flat angles C4'-P-C4' energy: -44.314
flat angles P-C4'-P energy: -29.738
tors. eta vs tors. theta energy: -42.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -503.953853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.953853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.953853 (E_RNA)
where:
Base-Base interactions energy: -316.659
where: short stacking energy: -123.808
Base-Backbone interact. energy: 0.508
local terms energy: -187.802796
where:
bonds (distance) C4'-P energy: -43.721
bonds (distance) P-C4' energy: -48.706
flat angles C4'-P-C4' energy: -45.246
flat angles P-C4'-P energy: -19.824
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: 5
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -901.999478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.999478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.999478 (E_RNA)
where:
Base-Base interactions energy: -629.226
where: short stacking energy: -241.001
Base-Backbone interact. energy: -0.412
local terms energy: -272.361128
where:
bonds (distance) C4'-P energy: -54.455
bonds (distance) P-C4' energy: -51.612
flat angles C4'-P-C4' energy: -55.260
flat angles P-C4'-P energy: -38.044
tors. eta vs tors. theta energy: -72.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -877.501062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.501062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.501062 (E_RNA)
where:
Base-Base interactions energy: -618.305
where: short stacking energy: -243.080
Base-Backbone interact. energy: -0.521
local terms energy: -258.674960
where:
bonds (distance) C4'-P energy: -41.719
bonds (distance) P-C4' energy: -48.571
flat angles C4'-P-C4' energy: -54.549
flat angles P-C4'-P energy: -46.404
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: 3, replica: 4
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -840.149213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.149213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.149213 (E_RNA)
where:
Base-Base interactions energy: -572.856
where: short stacking energy: -229.258
Base-Backbone interact. energy: -0.307
local terms energy: -266.986707
where:
bonds (distance) C4'-P energy: -48.967
bonds (distance) P-C4' energy: -58.489
flat angles C4'-P-C4' energy: -59.330
flat angles P-C4'-P energy: -36.369
tors. eta vs tors. theta energy: -63.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -833.204629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.204629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.204629 (E_RNA)
where:
Base-Base interactions energy: -562.952
where: short stacking energy: -250.310
Base-Backbone interact. energy: 0.417
local terms energy: -270.669427
where:
bonds (distance) C4'-P energy: -54.169
bonds (distance) P-C4' energy: -49.305
flat angles C4'-P-C4' energy: -53.573
flat angles P-C4'-P energy: -44.043
tors. eta vs tors. theta energy: -69.580
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: 2
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -804.631608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.631608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.631608 (E_RNA)
where:
Base-Base interactions energy: -556.327
where: short stacking energy: -231.571
Base-Backbone interact. energy: -1.543
local terms energy: -246.761626
where:
bonds (distance) C4'-P energy: -46.292
bonds (distance) P-C4' energy: -50.359
flat angles C4'-P-C4' energy: -59.996
flat angles P-C4'-P energy: -33.513
tors. eta vs tors. theta energy: -56.601
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: 8
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -741.720431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.720431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.720431 (E_RNA)
where:
Base-Base interactions energy: -519.793
where: short stacking energy: -221.892
Base-Backbone interact. energy: 0.234
local terms energy: -222.160911
where:
bonds (distance) C4'-P energy: -40.700
bonds (distance) P-C4' energy: -44.761
flat angles C4'-P-C4' energy: -53.399
flat angles P-C4'-P energy: -31.143
tors. eta vs tors. theta energy: -52.158
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: 7, replica: 7
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -733.373319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.373319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.373319 (E_RNA)
where:
Base-Base interactions energy: -500.121
where: short stacking energy: -196.894
Base-Backbone interact. energy: -1.546
local terms energy: -231.706109
where:
bonds (distance) C4'-P energy: -50.011
bonds (distance) P-C4' energy: -45.789
flat angles C4'-P-C4' energy: -54.238
flat angles P-C4'-P energy: -29.968
tors. eta vs tors. theta energy: -51.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -694.664301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.664301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.664301 (E_RNA)
where:
Base-Base interactions energy: -470.960
where: short stacking energy: -187.217
Base-Backbone interact. energy: -0.997
local terms energy: -222.707460
where:
bonds (distance) C4'-P energy: -51.650
bonds (distance) P-C4' energy: -44.403
flat angles C4'-P-C4' energy: -43.180
flat angles P-C4'-P energy: -32.627
tors. eta vs tors. theta energy: -50.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -566.804477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.804477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.804477 (E_RNA)
where:
Base-Base interactions energy: -376.026
where: short stacking energy: -159.732
Base-Backbone interact. energy: -0.402
local terms energy: -190.376391
where:
bonds (distance) C4'-P energy: -29.685
bonds (distance) P-C4' energy: -47.639
flat angles C4'-P-C4' energy: -53.913
flat angles P-C4'-P energy: -25.221
tors. eta vs tors. theta energy: -33.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -512.141411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.141411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.141411 (E_RNA)
where:
Base-Base interactions energy: -322.825
where: short stacking energy: -140.210
Base-Backbone interact. energy: -1.215
local terms energy: -188.101797
where:
bonds (distance) C4'-P energy: -44.661
bonds (distance) P-C4' energy: -43.407
flat angles C4'-P-C4' energy: -52.324
flat angles P-C4'-P energy: -21.887
tors. eta vs tors. theta energy: -25.823
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: 5
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -910.803745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.803745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.803745 (E_RNA)
where:
Base-Base interactions energy: -632.157
where: short stacking energy: -270.709
Base-Backbone interact. energy: -0.932
local terms energy: -277.714900
where:
bonds (distance) C4'-P energy: -50.896
bonds (distance) P-C4' energy: -54.692
flat angles C4'-P-C4' energy: -52.798
flat angles P-C4'-P energy: -40.548
tors. eta vs tors. theta energy: -78.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -898.174798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.174798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.174798 (E_RNA)
where:
Base-Base interactions energy: -636.918
where: short stacking energy: -252.306
Base-Backbone interact. energy: 1.475
local terms energy: -262.732308
where:
bonds (distance) C4'-P energy: -47.028
bonds (distance) P-C4' energy: -45.894
flat angles C4'-P-C4' energy: -57.669
flat angles P-C4'-P energy: -45.592
tors. eta vs tors. theta energy: -66.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -845.334324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.334324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.334324 (E_RNA)
where:
Base-Base interactions energy: -579.135
where: short stacking energy: -229.401
Base-Backbone interact. energy: -2.011
local terms energy: -264.188483
where:
bonds (distance) C4'-P energy: -51.094
bonds (distance) P-C4' energy: -46.902
flat angles C4'-P-C4' energy: -60.024
flat angles P-C4'-P energy: -42.992
tors. eta vs tors. theta energy: -63.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -861.134763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.134763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.134763 (E_RNA)
where:
Base-Base interactions energy: -580.947
where: short stacking energy: -249.603
Base-Backbone interact. energy: -2.710
local terms energy: -277.477930
where:
bonds (distance) C4'-P energy: -46.662
bonds (distance) P-C4' energy: -54.033
flat angles C4'-P-C4' energy: -55.870
flat angles P-C4'-P energy: -45.164
tors. eta vs tors. theta energy: -75.749
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: 2
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -812.105476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.105476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.105476 (E_RNA)
where:
Base-Base interactions energy: -561.565
where: short stacking energy: -247.390
Base-Backbone interact. energy: -0.443
local terms energy: -250.097581
where:
bonds (distance) C4'-P energy: -45.558
bonds (distance) P-C4' energy: -42.468
flat angles C4'-P-C4' energy: -52.661
flat angles P-C4'-P energy: -41.077
tors. eta vs tors. theta energy: -68.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -773.013494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.013494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.013494 (E_RNA)
where:
Base-Base interactions energy: -537.425
where: short stacking energy: -218.470
Base-Backbone interact. energy: -0.495
local terms energy: -235.093359
where:
bonds (distance) C4'-P energy: -42.614
bonds (distance) P-C4' energy: -56.869
flat angles C4'-P-C4' energy: -54.994
flat angles P-C4'-P energy: -26.575
tors. eta vs tors. theta energy: -54.042
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: 27
Temperature: 1.200000
Total energy: -724.832080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.832080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.832080 (E_RNA)
where:
Base-Base interactions energy: -477.891
where: short stacking energy: -189.056
Base-Backbone interact. energy: -1.406
local terms energy: -245.535149
where:
bonds (distance) C4'-P energy: -40.746
bonds (distance) P-C4' energy: -50.266
flat angles C4'-P-C4' energy: -61.233
flat angles P-C4'-P energy: -37.637
tors. eta vs tors. theta energy: -55.652
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: 8, replica: 3
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -663.045188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.045188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.045188 (E_RNA)
where:
Base-Base interactions energy: -443.260
where: short stacking energy: -189.155
Base-Backbone interact. energy: -1.271
local terms energy: -218.514605
where:
bonds (distance) C4'-P energy: -47.240
bonds (distance) P-C4' energy: -41.006
flat angles C4'-P-C4' energy: -50.795
flat angles P-C4'-P energy: -30.839
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: 9, replica: 6
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -571.364858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.364858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.364858 (E_RNA)
where:
Base-Base interactions energy: -364.796
where: short stacking energy: -155.428
Base-Backbone interact. energy: -1.219
local terms energy: -205.349898
where:
bonds (distance) C4'-P energy: -38.005
bonds (distance) P-C4' energy: -51.193
flat angles C4'-P-C4' energy: -51.908
flat angles P-C4'-P energy: -29.337
tors. eta vs tors. theta energy: -34.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -494.290613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.290613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.290613 (E_RNA)
where:
Base-Base interactions energy: -318.720
where: short stacking energy: -146.247
Base-Backbone interact. energy: 0.341
local terms energy: -175.910719
where:
bonds (distance) C4'-P energy: -51.274
bonds (distance) P-C4' energy: -29.380
flat angles C4'-P-C4' energy: -44.574
flat angles P-C4'-P energy: -26.922
tors. eta vs tors. theta energy: -23.761
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: 5
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -907.638795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.638795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.638795 (E_RNA)
where:
Base-Base interactions energy: -626.546
where: short stacking energy: -255.438
Base-Backbone interact. energy: 3.655
local terms energy: -284.748508
where:
bonds (distance) C4'-P energy: -58.793
bonds (distance) P-C4' energy: -49.964
flat angles C4'-P-C4' energy: -53.699
flat angles P-C4'-P energy: -43.279
tors. eta vs tors. theta energy: -79.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -896.131908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.131908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.131908 (E_RNA)
where:
Base-Base interactions energy: -635.048
where: short stacking energy: -250.924
Base-Backbone interact. energy: -1.309
local terms energy: -259.775455
where:
bonds (distance) C4'-P energy: -50.239
bonds (distance) P-C4' energy: -52.558
flat angles C4'-P-C4' energy: -50.375
flat angles P-C4'-P energy: -40.250
tors. eta vs tors. theta energy: -66.354
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: 10
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -853.166215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.166215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.166215 (E_RNA)
where:
Base-Base interactions energy: -579.999
where: short stacking energy: -256.517
Base-Backbone interact. energy: -1.186
local terms energy: -271.981273
where:
bonds (distance) C4'-P energy: -50.012
bonds (distance) P-C4' energy: -50.328
flat angles C4'-P-C4' energy: -58.267
flat angles P-C4'-P energy: -35.687
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: 4
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -845.902078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.902078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.902078 (E_RNA)
where:
Base-Base interactions energy: -594.567
where: short stacking energy: -257.999
Base-Backbone interact. energy: 0.043
local terms energy: -251.377554
where:
bonds (distance) C4'-P energy: -49.909
bonds (distance) P-C4' energy: -49.328
flat angles C4'-P-C4' energy: -51.057
flat angles P-C4'-P energy: -32.838
tors. eta vs tors. theta energy: -68.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -826.486117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.486117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.486117 (E_RNA)
where:
Base-Base interactions energy: -566.673
where: short stacking energy: -246.483
Base-Backbone interact. energy: -0.068
local terms energy: -259.745200
where:
bonds (distance) C4'-P energy: -44.854
bonds (distance) P-C4' energy: -42.351
flat angles C4'-P-C4' energy: -51.158
flat angles P-C4'-P energy: -46.304
tors. eta vs tors. theta energy: -75.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -766.886748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.886748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.886748 (E_RNA)
where:
Base-Base interactions energy: -526.148
where: short stacking energy: -203.987
Base-Backbone interact. energy: 0.714
local terms energy: -241.453598
where:
bonds (distance) C4'-P energy: -52.610
bonds (distance) P-C4' energy: -52.520
flat angles C4'-P-C4' energy: -51.967
flat angles P-C4'-P energy: -31.761
tors. eta vs tors. theta energy: -52.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -650.452985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.452985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.452985 (E_RNA)
where:
Base-Base interactions energy: -435.476
where: short stacking energy: -172.178
Base-Backbone interact. energy: -0.810
local terms energy: -214.166376
where:
bonds (distance) C4'-P energy: -48.129
bonds (distance) P-C4' energy: -46.105
flat angles C4'-P-C4' energy: -45.325
flat angles P-C4'-P energy: -34.885
tors. eta vs tors. theta energy: -39.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -715.434655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.434655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.434655 (E_RNA)
where:
Base-Base interactions energy: -483.821
where: short stacking energy: -204.552
Base-Backbone interact. energy: -0.380
local terms energy: -231.233790
where:
bonds (distance) C4'-P energy: -41.750
bonds (distance) P-C4' energy: -47.516
flat angles C4'-P-C4' energy: -51.903
flat angles P-C4'-P energy: -33.825
tors. eta vs tors. theta energy: -56.240
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: 9, replica: 6
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -565.801527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.801527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.801527 (E_RNA)
where:
Base-Base interactions energy: -391.000
where: short stacking energy: -153.720
Base-Backbone interact. energy: 0.656
local terms energy: -175.457547
where:
bonds (distance) C4'-P energy: -48.133
bonds (distance) P-C4' energy: -33.665
flat angles C4'-P-C4' energy: -40.589
flat angles P-C4'-P energy: -17.065
tors. eta vs tors. theta energy: -36.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -476.795035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.795035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.795035 (E_RNA)
where:
Base-Base interactions energy: -308.930
where: short stacking energy: -141.809
Base-Backbone interact. energy: -0.376
local terms energy: -167.488515
where:
bonds (distance) C4'-P energy: -38.248
bonds (distance) P-C4' energy: -38.353
flat angles C4'-P-C4' energy: -41.025
flat angles P-C4'-P energy: -21.872
tors. eta vs tors. theta energy: -27.991
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: 5
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -915.401453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.401453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.401453 (E_RNA)
where:
Base-Base interactions energy: -626.468
where: short stacking energy: -268.778
Base-Backbone interact. energy: -0.082
local terms energy: -288.851714
where:
bonds (distance) C4'-P energy: -62.440
bonds (distance) P-C4' energy: -56.242
flat angles C4'-P-C4' energy: -61.436
flat angles P-C4'-P energy: -36.196
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: 2, replica: 10
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -884.006536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.006536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.006536 (E_RNA)
where:
Base-Base interactions energy: -600.743
where: short stacking energy: -260.039
Base-Backbone interact. energy: -0.513
local terms energy: -282.751112
where:
bonds (distance) C4'-P energy: -59.030
bonds (distance) P-C4' energy: -51.001
flat angles C4'-P-C4' energy: -53.795
flat angles P-C4'-P energy: -43.149
tors. eta vs tors. theta energy: -75.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -862.434101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.434101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.434101 (E_RNA)
where:
Base-Base interactions energy: -602.672
where: short stacking energy: -240.227
Base-Backbone interact. energy: 0.141
local terms energy: -259.902946
where:
bonds (distance) C4'-P energy: -53.247
bonds (distance) P-C4' energy: -51.207
flat angles C4'-P-C4' energy: -53.582
flat angles P-C4'-P energy: -40.351
tors. eta vs tors. theta energy: -61.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -827.524178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.524178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.524178 (E_RNA)
where:
Base-Base interactions energy: -580.487
where: short stacking energy: -228.979
Base-Backbone interact. energy: -0.790
local terms energy: -246.246756
where:
bonds (distance) C4'-P energy: -37.245
bonds (distance) P-C4' energy: -50.227
flat angles C4'-P-C4' energy: -56.040
flat angles P-C4'-P energy: -43.910
tors. eta vs tors. theta energy: -58.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -807.280245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.280245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.280245 (E_RNA)
where:
Base-Base interactions energy: -554.134
where: short stacking energy: -238.941
Base-Backbone interact. energy: 2.461
local terms energy: -255.606630
where:
bonds (distance) C4'-P energy: -49.109
bonds (distance) P-C4' energy: -51.682
flat angles C4'-P-C4' energy: -51.867
flat angles P-C4'-P energy: -37.101
tors. eta vs tors. theta energy: -65.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -703.787182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.787182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.787182 (E_RNA)
where:
Base-Base interactions energy: -482.446
where: short stacking energy: -204.074
Base-Backbone interact. energy: -1.627
local terms energy: -219.714047
where:
bonds (distance) C4'-P energy: -42.266
bonds (distance) P-C4' energy: -49.019
flat angles C4'-P-C4' energy: -49.223
flat angles P-C4'-P energy: -34.469
tors. eta vs tors. theta energy: -44.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -732.191644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.191644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.191644 (E_RNA)
where:
Base-Base interactions energy: -490.530
where: short stacking energy: -205.063
Base-Backbone interact. energy: -0.752
local terms energy: -240.909831
where:
bonds (distance) C4'-P energy: -48.317
bonds (distance) P-C4' energy: -47.535
flat angles C4'-P-C4' energy: -51.374
flat angles P-C4'-P energy: -34.303
tors. eta vs tors. theta energy: -59.381
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: 7
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -707.262051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.262051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.262051 (E_RNA)
where:
Base-Base interactions energy: -476.456
where: short stacking energy: -183.324
Base-Backbone interact. energy: -2.373
local terms energy: -228.433045
where:
bonds (distance) C4'-P energy: -39.832
bonds (distance) P-C4' energy: -52.044
flat angles C4'-P-C4' energy: -52.218
flat angles P-C4'-P energy: -35.715
tors. eta vs tors. theta energy: -48.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -543.916838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.916838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.916838 (E_RNA)
where:
Base-Base interactions energy: -374.642
where: short stacking energy: -154.180
Base-Backbone interact. energy: -1.183
local terms energy: -168.091951
where:
bonds (distance) C4'-P energy: -45.103
bonds (distance) P-C4' energy: -43.603
flat angles C4'-P-C4' energy: -26.047
flat angles P-C4'-P energy: -19.246
tors. eta vs tors. theta energy: -34.093
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: 29
Temperature: 1.350000
Total energy: -473.839918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.839918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.839918 (E_RNA)
where:
Base-Base interactions energy: -295.113
where: short stacking energy: -138.715
Base-Backbone interact. energy: 0.441
local terms energy: -179.167655
where:
bonds (distance) C4'-P energy: -47.388
bonds (distance) P-C4' energy: -46.524
flat angles C4'-P-C4' energy: -39.117
flat angles P-C4'-P energy: -19.809
tors. eta vs tors. theta energy: -26.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -941.073275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.073275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.073275 (E_RNA)
where:
Base-Base interactions energy: -653.908
where: short stacking energy: -259.720
Base-Backbone interact. energy: -1.537
local terms energy: -285.628338
where:
bonds (distance) C4'-P energy: -55.553
bonds (distance) P-C4' energy: -53.449
flat angles C4'-P-C4' energy: -57.384
flat angles P-C4'-P energy: -41.113
tors. eta vs tors. theta energy: -78.130
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: 10
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -872.008763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.008763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.008763 (E_RNA)
where:
Base-Base interactions energy: -585.343
where: short stacking energy: -256.039
Base-Backbone interact. energy: -0.157
local terms energy: -286.508158
where:
bonds (distance) C4'-P energy: -58.774
bonds (distance) P-C4' energy: -57.291
flat angles C4'-P-C4' energy: -59.725
flat angles P-C4'-P energy: -38.910
tors. eta vs tors. theta energy: -71.808
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: 1
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -855.841695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.841695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.841695 (E_RNA)
where:
Base-Base interactions energy: -590.411
where: short stacking energy: -243.954
Base-Backbone interact. energy: 1.347
local terms energy: -266.777510
where:
bonds (distance) C4'-P energy: -45.368
bonds (distance) P-C4' energy: -60.387
flat angles C4'-P-C4' energy: -52.331
flat angles P-C4'-P energy: -47.336
tors. eta vs tors. theta energy: -61.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -833.058559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.058559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.058559 (E_RNA)
where:
Base-Base interactions energy: -581.317
where: short stacking energy: -239.722
Base-Backbone interact. energy: -1.064
local terms energy: -250.677557
where:
bonds (distance) C4'-P energy: -52.423
bonds (distance) P-C4' energy: -39.938
flat angles C4'-P-C4' energy: -52.413
flat angles P-C4'-P energy: -35.595
tors. eta vs tors. theta energy: -70.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -819.790109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.790109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.790109 (E_RNA)
where:
Base-Base interactions energy: -566.564
where: short stacking energy: -224.959
Base-Backbone interact. energy: -1.040
local terms energy: -252.185152
where:
bonds (distance) C4'-P energy: -50.902
bonds (distance) P-C4' energy: -44.606
flat angles C4'-P-C4' energy: -55.897
flat angles P-C4'-P energy: -40.781
tors. eta vs tors. theta energy: -59.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -741.324979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.324979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.324979 (E_RNA)
where:
Base-Base interactions energy: -510.593
where: short stacking energy: -219.470
Base-Backbone interact. energy: 0.486
local terms energy: -231.217895
where:
bonds (distance) C4'-P energy: -50.957
bonds (distance) P-C4' energy: -35.828
flat angles C4'-P-C4' energy: -51.281
flat angles P-C4'-P energy: -39.951
tors. eta vs tors. theta energy: -53.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -720.385052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.385052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.385052 (E_RNA)
where:
Base-Base interactions energy: -482.730
where: short stacking energy: -202.286
Base-Backbone interact. energy: 0.559
local terms energy: -238.213084
where:
bonds (distance) C4'-P energy: -41.994
bonds (distance) P-C4' energy: -47.512
flat angles C4'-P-C4' energy: -54.405
flat angles P-C4'-P energy: -32.713
tors. eta vs tors. theta energy: -61.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -719.722921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.722921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.722921 (E_RNA)
where:
Base-Base interactions energy: -501.202
where: short stacking energy: -196.950
Base-Backbone interact. energy: -0.262
local terms energy: -218.259279
where:
bonds (distance) C4'-P energy: -49.226
bonds (distance) P-C4' energy: -37.808
flat angles C4'-P-C4' energy: -50.104
flat angles P-C4'-P energy: -29.544
tors. eta vs tors. theta energy: -51.577
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: 30
Temperature: 1.300000
Total energy: -505.083165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.083165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.083165 (E_RNA)
where:
Base-Base interactions energy: -317.390
where: short stacking energy: -135.831
Base-Backbone interact. energy: -0.494
local terms energy: -187.199006
where:
bonds (distance) C4'-P energy: -37.062
bonds (distance) P-C4' energy: -48.860
flat angles C4'-P-C4' energy: -46.824
flat angles P-C4'-P energy: -28.563
tors. eta vs tors. theta energy: -25.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -468.104893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.104893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.104893 (E_RNA)
where:
Base-Base interactions energy: -294.843
where: short stacking energy: -134.238
Base-Backbone interact. energy: 1.928
local terms energy: -175.190778
where:
bonds (distance) C4'-P energy: -44.113
bonds (distance) P-C4' energy: -48.711
flat angles C4'-P-C4' energy: -44.555
flat angles P-C4'-P energy: -18.583
tors. eta vs tors. theta energy: -19.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -912.779126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.779126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.779126 (E_RNA)
where:
Base-Base interactions energy: -637.278
where: short stacking energy: -268.768
Base-Backbone interact. energy: -0.686
local terms energy: -274.815039
where:
bonds (distance) C4'-P energy: -44.576
bonds (distance) P-C4' energy: -56.416
flat angles C4'-P-C4' energy: -61.805
flat angles P-C4'-P energy: -42.152
tors. eta vs tors. theta energy: -69.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -894.671280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.671280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.671280 (E_RNA)
where:
Base-Base interactions energy: -609.976
where: short stacking energy: -275.850
Base-Backbone interact. energy: -0.379
local terms energy: -284.316026
where:
bonds (distance) C4'-P energy: -51.817
bonds (distance) P-C4' energy: -49.259
flat angles C4'-P-C4' energy: -60.174
flat angles P-C4'-P energy: -45.153
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: 3, replica: 1
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -861.106502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.106502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.106502 (E_RNA)
where:
Base-Base interactions energy: -605.419
where: short stacking energy: -235.574
Base-Backbone interact. energy: 0.348
local terms energy: -256.035102
where:
bonds (distance) C4'-P energy: -51.130
bonds (distance) P-C4' energy: -49.809
flat angles C4'-P-C4' energy: -58.541
flat angles P-C4'-P energy: -35.904
tors. eta vs tors. theta energy: -60.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -825.107137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.107137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.107137 (E_RNA)
where:
Base-Base interactions energy: -570.408
where: short stacking energy: -230.212
Base-Backbone interact. energy: -2.173
local terms energy: -252.526570
where:
bonds (distance) C4'-P energy: -49.577
bonds (distance) P-C4' energy: -44.734
flat angles C4'-P-C4' energy: -60.070
flat angles P-C4'-P energy: -31.674
tors. eta vs tors. theta energy: -66.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -818.920672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.920672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.920672 (E_RNA)
where:
Base-Base interactions energy: -573.658
where: short stacking energy: -239.919
Base-Backbone interact. energy: 1.149
local terms energy: -246.411223
where:
bonds (distance) C4'-P energy: -38.717
bonds (distance) P-C4' energy: -46.043
flat angles C4'-P-C4' energy: -47.034
flat angles P-C4'-P energy: -44.815
tors. eta vs tors. theta energy: -69.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -759.827727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.827727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.827727 (E_RNA)
where:
Base-Base interactions energy: -533.429
where: short stacking energy: -220.630
Base-Backbone interact. energy: 0.037
local terms energy: -226.436162
where:
bonds (distance) C4'-P energy: -43.563
bonds (distance) P-C4' energy: -47.258
flat angles C4'-P-C4' energy: -57.682
flat angles P-C4'-P energy: -25.833
tors. eta vs tors. theta energy: -52.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -760.405301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.405301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.405301 (E_RNA)
where:
Base-Base interactions energy: -519.327
where: short stacking energy: -212.529
Base-Backbone interact. energy: -1.287
local terms energy: -239.791604
where:
bonds (distance) C4'-P energy: -55.447
bonds (distance) P-C4' energy: -36.392
flat angles C4'-P-C4' energy: -51.845
flat angles P-C4'-P energy: -32.678
tors. eta vs tors. theta energy: -63.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -761.948013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.948013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.948013 (E_RNA)
where:
Base-Base interactions energy: -536.930
where: short stacking energy: -213.152
Base-Backbone interact. energy: 0.400
local terms energy: -225.417870
where:
bonds (distance) C4'-P energy: -46.695
bonds (distance) P-C4' energy: -44.964
flat angles C4'-P-C4' energy: -48.797
flat angles P-C4'-P energy: -29.817
tors. eta vs tors. theta energy: -55.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -522.662240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.662240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.662240 (E_RNA)
where:
Base-Base interactions energy: -327.011
where: short stacking energy: -146.099
Base-Backbone interact. energy: 0.725
local terms energy: -196.376073
where:
bonds (distance) C4'-P energy: -46.374
bonds (distance) P-C4' energy: -44.589
flat angles C4'-P-C4' energy: -38.086
flat angles P-C4'-P energy: -27.446
tors. eta vs tors. theta energy: -39.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -495.370178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.370178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.370178 (E_RNA)
where:
Base-Base interactions energy: -325.523
where: short stacking energy: -148.415
Base-Backbone interact. energy: 1.025
local terms energy: -170.872527
where:
bonds (distance) C4'-P energy: -36.710
bonds (distance) P-C4' energy: -46.280
flat angles C4'-P-C4' energy: -45.827
flat angles P-C4'-P energy: -17.415
tors. eta vs tors. theta energy: -24.639
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: 10
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -910.215351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.215351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.215351 (E_RNA)
where:
Base-Base interactions energy: -617.181
where: short stacking energy: -280.867
Base-Backbone interact. energy: -0.540
local terms energy: -292.494394
where:
bonds (distance) C4'-P energy: -49.941
bonds (distance) P-C4' energy: -58.967
flat angles C4'-P-C4' energy: -56.832
flat angles P-C4'-P energy: -49.033
tors. eta vs tors. theta energy: -77.722
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: 5
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -912.175790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.175790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.175790 (E_RNA)
where:
Base-Base interactions energy: -627.416
where: short stacking energy: -255.722
Base-Backbone interact. energy: 1.801
local terms energy: -286.561400
where:
bonds (distance) C4'-P energy: -48.597
bonds (distance) P-C4' energy: -63.312
flat angles C4'-P-C4' energy: -56.771
flat angles P-C4'-P energy: -43.523
tors. eta vs tors. theta energy: -74.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -842.051427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.051427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.051427 (E_RNA)
where:
Base-Base interactions energy: -594.190
where: short stacking energy: -228.991
Base-Backbone interact. energy: 1.173
local terms energy: -249.034346
where:
bonds (distance) C4'-P energy: -43.494
bonds (distance) P-C4' energy: -40.940
flat angles C4'-P-C4' energy: -57.564
flat angles P-C4'-P energy: -42.974
tors. eta vs tors. theta energy: -64.063
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: 2
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -805.807544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.807544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.807544 (E_RNA)
where:
Base-Base interactions energy: -557.092
where: short stacking energy: -233.087
Base-Backbone interact. energy: -0.555
local terms energy: -248.161062
where:
bonds (distance) C4'-P energy: -43.417
bonds (distance) P-C4' energy: -51.170
flat angles C4'-P-C4' energy: -51.907
flat angles P-C4'-P energy: -35.758
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: 4
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -799.867822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.867822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.867822 (E_RNA)
where:
Base-Base interactions energy: -553.794
where: short stacking energy: -222.622
Base-Backbone interact. energy: -1.636
local terms energy: -244.437875
where:
bonds (distance) C4'-P energy: -42.181
bonds (distance) P-C4' energy: -53.669
flat angles C4'-P-C4' energy: -51.246
flat angles P-C4'-P energy: -36.876
tors. eta vs tors. theta energy: -60.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -743.419728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.419728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.419728 (E_RNA)
where:
Base-Base interactions energy: -508.116
where: short stacking energy: -201.104
Base-Backbone interact. energy: -0.220
local terms energy: -235.083474
where:
bonds (distance) C4'-P energy: -47.100
bonds (distance) P-C4' energy: -46.646
flat angles C4'-P-C4' energy: -53.505
flat angles P-C4'-P energy: -35.722
tors. eta vs tors. theta energy: -52.110
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: 32
Temperature: 1.200000
Total energy: -750.774617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.774617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.774617 (E_RNA)
where:
Base-Base interactions energy: -516.072
where: short stacking energy: -216.093
Base-Backbone interact. energy: 0.085
local terms energy: -234.788060
where:
bonds (distance) C4'-P energy: -49.232
bonds (distance) P-C4' energy: -46.045
flat angles C4'-P-C4' energy: -52.591
flat angles P-C4'-P energy: -31.369
tors. eta vs tors. theta energy: -55.551
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: 8, replica: 3
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -742.521151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.521151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.521151 (E_RNA)
where:
Base-Base interactions energy: -511.328
where: short stacking energy: -205.652
Base-Backbone interact. energy: -0.961
local terms energy: -230.231443
where:
bonds (distance) C4'-P energy: -38.953
bonds (distance) P-C4' energy: -47.173
flat angles C4'-P-C4' energy: -43.672
flat angles P-C4'-P energy: -39.379
tors. eta vs tors. theta energy: -61.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -524.225722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.225722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.225722 (E_RNA)
where:
Base-Base interactions energy: -340.234
where: short stacking energy: -148.200
Base-Backbone interact. energy: 0.594
local terms energy: -184.586025
where:
bonds (distance) C4'-P energy: -42.249
bonds (distance) P-C4' energy: -39.236
flat angles C4'-P-C4' energy: -42.593
flat angles P-C4'-P energy: -27.222
tors. eta vs tors. theta energy: -33.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -359.272280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.272280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.272280 (E_RNA)
where:
Base-Base interactions energy: -217.115
where: short stacking energy: -110.240
Base-Backbone interact. energy: -1.391
local terms energy: -140.766270
where:
bonds (distance) C4'-P energy: -37.250
bonds (distance) P-C4' energy: -51.348
flat angles C4'-P-C4' energy: -34.205
flat angles P-C4'-P energy: -14.989
tors. eta vs tors. theta energy: -2.974
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: 10
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -882.609764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.609764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.609764 (E_RNA)
where:
Base-Base interactions energy: -598.638
where: short stacking energy: -249.215
Base-Backbone interact. energy: 0.332
local terms energy: -284.303140
where:
bonds (distance) C4'-P energy: -57.220
bonds (distance) P-C4' energy: -49.138
flat angles C4'-P-C4' energy: -61.414
flat angles P-C4'-P energy: -42.202
tors. eta vs tors. theta energy: -74.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -903.964769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.964769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.964769 (E_RNA)
where:
Base-Base interactions energy: -635.005
where: short stacking energy: -270.151
Base-Backbone interact. energy: -1.674
local terms energy: -267.284988
where:
bonds (distance) C4'-P energy: -53.528
bonds (distance) P-C4' energy: -51.327
flat angles C4'-P-C4' energy: -58.007
flat angles P-C4'-P energy: -30.979
tors. eta vs tors. theta energy: -73.445
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: 33
Temperature: 1.000000
Total energy: -848.283306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.283306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.283306 (E_RNA)
where:
Base-Base interactions energy: -580.890
where: short stacking energy: -253.709
Base-Backbone interact. energy: -1.157
local terms energy: -266.236600
where:
bonds (distance) C4'-P energy: -47.814
bonds (distance) P-C4' energy: -56.484
flat angles C4'-P-C4' energy: -57.553
flat angles P-C4'-P energy: -35.055
tors. eta vs tors. theta energy: -69.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -817.982370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.982370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.982370 (E_RNA)
where:
Base-Base interactions energy: -569.365
where: short stacking energy: -236.785
Base-Backbone interact. energy: 0.937
local terms energy: -249.553848
where:
bonds (distance) C4'-P energy: -35.133
bonds (distance) P-C4' energy: -50.090
flat angles C4'-P-C4' energy: -61.599
flat angles P-C4'-P energy: -34.257
tors. eta vs tors. theta energy: -68.474
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: 2
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -786.437479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.437479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.437479 (E_RNA)
where:
Base-Base interactions energy: -545.872
where: short stacking energy: -232.891
Base-Backbone interact. energy: 0.291
local terms energy: -240.856284
where:
bonds (distance) C4'-P energy: -46.149
bonds (distance) P-C4' energy: -33.126
flat angles C4'-P-C4' energy: -54.340
flat angles P-C4'-P energy: -41.387
tors. eta vs tors. theta energy: -65.855
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: 7
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -777.954712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.954712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.954712 (E_RNA)
where:
Base-Base interactions energy: -541.834
where: short stacking energy: -227.052
Base-Backbone interact. energy: -1.427
local terms energy: -234.693579
where:
bonds (distance) C4'-P energy: -42.620
bonds (distance) P-C4' energy: -39.304
flat angles C4'-P-C4' energy: -56.906
flat angles P-C4'-P energy: -31.982
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: 8
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -714.252646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.252646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.252646 (E_RNA)
where:
Base-Base interactions energy: -490.195
where: short stacking energy: -195.521
Base-Backbone interact. energy: -0.615
local terms energy: -223.442224
where:
bonds (distance) C4'-P energy: -45.532
bonds (distance) P-C4' energy: -45.264
flat angles C4'-P-C4' energy: -38.002
flat angles P-C4'-P energy: -41.346
tors. eta vs tors. theta energy: -53.298
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: 8, replica: 3
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -672.613139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.613139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.613139 (E_RNA)
where:
Base-Base interactions energy: -457.706
where: short stacking energy: -190.024
Base-Backbone interact. energy: -0.946
local terms energy: -213.961566
where:
bonds (distance) C4'-P energy: -37.991
bonds (distance) P-C4' energy: -41.767
flat angles C4'-P-C4' energy: -49.172
flat angles P-C4'-P energy: -38.851
tors. eta vs tors. theta energy: -46.181
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: 33
Temperature: 1.300000
Total energy: -547.756657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.756657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.756657 (E_RNA)
where:
Base-Base interactions energy: -364.894
where: short stacking energy: -158.103
Base-Backbone interact. energy: 1.329
local terms energy: -184.191613
where:
bonds (distance) C4'-P energy: -44.921
bonds (distance) P-C4' energy: -46.165
flat angles C4'-P-C4' energy: -42.266
flat angles P-C4'-P energy: -16.694
tors. eta vs tors. theta energy: -34.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -366.692801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.692801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.692801 (E_RNA)
where:
Base-Base interactions energy: -193.501
where: short stacking energy: -110.500
Base-Backbone interact. energy: 2.260
local terms energy: -175.451227
where:
bonds (distance) C4'-P energy: -31.487
bonds (distance) P-C4' energy: -55.800
flat angles C4'-P-C4' energy: -44.090
flat angles P-C4'-P energy: -27.822
tors. eta vs tors. theta energy: -16.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -931.935428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.935428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.935428 (E_RNA)
where:
Base-Base interactions energy: -658.941
where: short stacking energy: -270.754
Base-Backbone interact. energy: -1.671
local terms energy: -271.323171
where:
bonds (distance) C4'-P energy: -51.625
bonds (distance) P-C4' energy: -50.496
flat angles C4'-P-C4' energy: -58.179
flat angles P-C4'-P energy: -37.358
tors. eta vs tors. theta energy: -73.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -888.784866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.784866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.784866 (E_RNA)
where:
Base-Base interactions energy: -614.618
where: short stacking energy: -269.802
Base-Backbone interact. energy: -1.207
local terms energy: -272.959236
where:
bonds (distance) C4'-P energy: -48.399
bonds (distance) P-C4' energy: -53.721
flat angles C4'-P-C4' energy: -58.037
flat angles P-C4'-P energy: -37.814
tors. eta vs tors. theta energy: -74.989
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: 1
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -869.564554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.564554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.564554 (E_RNA)
where:
Base-Base interactions energy: -605.023
where: short stacking energy: -249.316
Base-Backbone interact. energy: 0.534
local terms energy: -265.074939
where:
bonds (distance) C4'-P energy: -49.675
bonds (distance) P-C4' energy: -53.013
flat angles C4'-P-C4' energy: -49.752
flat angles P-C4'-P energy: -38.168
tors. eta vs tors. theta energy: -74.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -829.616198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.616198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.616198 (E_RNA)
where:
Base-Base interactions energy: -566.842
where: short stacking energy: -230.761
Base-Backbone interact. energy: -0.491
local terms energy: -262.282534
where:
bonds (distance) C4'-P energy: -42.830
bonds (distance) P-C4' energy: -56.766
flat angles C4'-P-C4' energy: -52.467
flat angles P-C4'-P energy: -40.781
tors. eta vs tors. theta energy: -69.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -792.274451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.274451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.274451 (E_RNA)
where:
Base-Base interactions energy: -541.438
where: short stacking energy: -218.868
Base-Backbone interact. energy: -0.030
local terms energy: -250.807155
where:
bonds (distance) C4'-P energy: -51.380
bonds (distance) P-C4' energy: -47.906
flat angles C4'-P-C4' energy: -44.865
flat angles P-C4'-P energy: -42.618
tors. eta vs tors. theta energy: -64.039
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: 7
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -785.161666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.161666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.161666 (E_RNA)
where:
Base-Base interactions energy: -551.061
where: short stacking energy: -227.796
Base-Backbone interact. energy: -1.883
local terms energy: -232.217919
where:
bonds (distance) C4'-P energy: -43.139
bonds (distance) P-C4' energy: -47.178
flat angles C4'-P-C4' energy: -54.749
flat angles P-C4'-P energy: -27.576
tors. eta vs tors. theta energy: -59.575
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: 7, replica: 3
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -749.663011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.663011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.663011 (E_RNA)
where:
Base-Base interactions energy: -505.285
where: short stacking energy: -208.503
Base-Backbone interact. energy: -0.493
local terms energy: -243.885721
where:
bonds (distance) C4'-P energy: -46.006
bonds (distance) P-C4' energy: -50.992
flat angles C4'-P-C4' energy: -56.982
flat angles P-C4'-P energy: -36.864
tors. eta vs tors. theta energy: -53.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -680.186796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.186796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.186796 (E_RNA)
where:
Base-Base interactions energy: -469.785
where: short stacking energy: -186.985
Base-Backbone interact. energy: 0.115
local terms energy: -210.517212
where:
bonds (distance) C4'-P energy: -36.935
bonds (distance) P-C4' energy: -45.740
flat angles C4'-P-C4' energy: -44.384
flat angles P-C4'-P energy: -34.351
tors. eta vs tors. theta energy: -49.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -521.416678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.416678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.416678 (E_RNA)
where:
Base-Base interactions energy: -357.194
where: short stacking energy: -148.280
Base-Backbone interact. energy: -0.131
local terms energy: -164.090972
where:
bonds (distance) C4'-P energy: -31.257
bonds (distance) P-C4' energy: -37.388
flat angles C4'-P-C4' energy: -45.051
flat angles P-C4'-P energy: -25.272
tors. eta vs tors. theta energy: -25.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -320.636044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.636044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.636044 (E_RNA)
where:
Base-Base interactions energy: -159.552
where: short stacking energy: -89.959
Base-Backbone interact. energy: 0.330
local terms energy: -161.414171
where:
bonds (distance) C4'-P energy: -42.115
bonds (distance) P-C4' energy: -44.739
flat angles C4'-P-C4' energy: -45.073
flat angles P-C4'-P energy: -25.743
tors. eta vs tors. theta energy: -3.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -920.475891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.475891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.475891 (E_RNA)
where:
Base-Base interactions energy: -652.331
where: short stacking energy: -263.609
Base-Backbone interact. energy: 0.793
local terms energy: -268.938070
where:
bonds (distance) C4'-P energy: -49.863
bonds (distance) P-C4' energy: -52.532
flat angles C4'-P-C4' energy: -58.758
flat angles P-C4'-P energy: -40.397
tors. eta vs tors. theta energy: -67.388
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: 1
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -881.106126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.106126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.106126 (E_RNA)
where:
Base-Base interactions energy: -598.768
where: short stacking energy: -249.753
Base-Backbone interact. energy: -0.328
local terms energy: -282.010607
where:
bonds (distance) C4'-P energy: -52.565
bonds (distance) P-C4' energy: -60.893
flat angles C4'-P-C4' energy: -58.261
flat angles P-C4'-P energy: -35.951
tors. eta vs tors. theta energy: -74.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -899.236151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.236151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.236151 (E_RNA)
where:
Base-Base interactions energy: -617.186
where: short stacking energy: -272.973
Base-Backbone interact. energy: -1.891
local terms energy: -280.159082
where:
bonds (distance) C4'-P energy: -49.876
bonds (distance) P-C4' energy: -50.705
flat angles C4'-P-C4' energy: -55.962
flat angles P-C4'-P energy: -41.028
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: 4, replica: 4
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -819.637067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.637067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.637067 (E_RNA)
where:
Base-Base interactions energy: -568.307
where: short stacking energy: -244.308
Base-Backbone interact. energy: -0.685
local terms energy: -250.644727
where:
bonds (distance) C4'-P energy: -42.863
bonds (distance) P-C4' energy: -52.365
flat angles C4'-P-C4' energy: -48.778
flat angles P-C4'-P energy: -37.412
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: 5, replica: 2
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -808.398382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.398382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.398382 (E_RNA)
where:
Base-Base interactions energy: -570.245
where: short stacking energy: -237.914
Base-Backbone interact. energy: -0.397
local terms energy: -237.756499
where:
bonds (distance) C4'-P energy: -46.459
bonds (distance) P-C4' energy: -40.024
flat angles C4'-P-C4' energy: -51.088
flat angles P-C4'-P energy: -33.914
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: 7
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -796.907447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.907447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.907447 (E_RNA)
where:
Base-Base interactions energy: -551.150
where: short stacking energy: -230.376
Base-Backbone interact. energy: 0.522
local terms energy: -246.280247
where:
bonds (distance) C4'-P energy: -49.550
bonds (distance) P-C4' energy: -47.352
flat angles C4'-P-C4' energy: -46.418
flat angles P-C4'-P energy: -34.966
tors. eta vs tors. theta energy: -67.995
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: 3
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -741.206022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.206022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.206022 (E_RNA)
where:
Base-Base interactions energy: -513.626
where: short stacking energy: -208.849
Base-Backbone interact. energy: 0.402
local terms energy: -227.981745
where:
bonds (distance) C4'-P energy: -44.678
bonds (distance) P-C4' energy: -44.234
flat angles C4'-P-C4' energy: -57.981
flat angles P-C4'-P energy: -34.989
tors. eta vs tors. theta energy: -46.100
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: 8
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -702.647601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.647601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.647601 (E_RNA)
where:
Base-Base interactions energy: -485.815
where: short stacking energy: -191.765
Base-Backbone interact. energy: -0.689
local terms energy: -216.143297
where:
bonds (distance) C4'-P energy: -44.935
bonds (distance) P-C4' energy: -48.921
flat angles C4'-P-C4' energy: -41.842
flat angles P-C4'-P energy: -33.581
tors. eta vs tors. theta energy: -46.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -518.081433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.081433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.081433 (E_RNA)
where:
Base-Base interactions energy: -326.853
where: short stacking energy: -152.210
Base-Backbone interact. energy: 6.497
local terms energy: -197.725282
where:
bonds (distance) C4'-P energy: -50.767
bonds (distance) P-C4' energy: -45.289
flat angles C4'-P-C4' energy: -41.481
flat angles P-C4'-P energy: -29.729
tors. eta vs tors. theta energy: -30.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -309.271576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.271576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.271576 (E_RNA)
where:
Base-Base interactions energy: -149.946
where: short stacking energy: -81.953
Base-Backbone interact. energy: 1.509
local terms energy: -160.834519
where:
bonds (distance) C4'-P energy: -49.359
bonds (distance) P-C4' energy: -50.316
flat angles C4'-P-C4' energy: -35.126
flat angles P-C4'-P energy: -25.036
tors. eta vs tors. theta energy: -0.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -892.271252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.271252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.271252 (E_RNA)
where:
Base-Base interactions energy: -617.430
where: short stacking energy: -246.195
Base-Backbone interact. energy: 0.188
local terms energy: -275.028515
where:
bonds (distance) C4'-P energy: -56.366
bonds (distance) P-C4' energy: -59.001
flat angles C4'-P-C4' energy: -63.710
flat angles P-C4'-P energy: -30.819
tors. eta vs tors. theta energy: -65.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -882.635003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.635003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.635003 (E_RNA)
where:
Base-Base interactions energy: -604.378
where: short stacking energy: -274.710
Base-Backbone interact. energy: -0.585
local terms energy: -277.671323
where:
bonds (distance) C4'-P energy: -42.800
bonds (distance) P-C4' energy: -54.774
flat angles C4'-P-C4' energy: -59.163
flat angles P-C4'-P energy: -39.160
tors. eta vs tors. theta energy: -81.774
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: 3, replica: 10
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -902.848459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.848459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.848459 (E_RNA)
where:
Base-Base interactions energy: -627.393
where: short stacking energy: -272.760
Base-Backbone interact. energy: -0.885
local terms energy: -274.570375
where:
bonds (distance) C4'-P energy: -45.658
bonds (distance) P-C4' energy: -50.910
flat angles C4'-P-C4' energy: -60.266
flat angles P-C4'-P energy: -39.298
tors. eta vs tors. theta energy: -78.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -801.662242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.662242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.662242 (E_RNA)
where:
Base-Base interactions energy: -552.074
where: short stacking energy: -254.741
Base-Backbone interact. energy: -1.432
local terms energy: -248.156613
where:
bonds (distance) C4'-P energy: -50.341
bonds (distance) P-C4' energy: -48.331
flat angles C4'-P-C4' energy: -50.551
flat angles P-C4'-P energy: -34.147
tors. eta vs tors. theta energy: -64.786
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: 36
Temperature: 1.100000
Total energy: -817.885573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.885573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.885573 (E_RNA)
where:
Base-Base interactions energy: -557.204
where: short stacking energy: -254.484
Base-Backbone interact. energy: 1.392
local terms energy: -262.073085
where:
bonds (distance) C4'-P energy: -48.515
bonds (distance) P-C4' energy: -46.105
flat angles C4'-P-C4' energy: -53.764
flat angles P-C4'-P energy: -38.603
tors. eta vs tors. theta energy: -75.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -828.415422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.415422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.415422 (E_RNA)
where:
Base-Base interactions energy: -581.696
where: short stacking energy: -242.280
Base-Backbone interact. energy: -1.609
local terms energy: -245.110523
where:
bonds (distance) C4'-P energy: -37.880
bonds (distance) P-C4' energy: -48.484
flat angles C4'-P-C4' energy: -60.363
flat angles P-C4'-P energy: -30.458
tors. eta vs tors. theta energy: -67.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -762.302434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.302434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.302434 (E_RNA)
where:
Base-Base interactions energy: -516.011
where: short stacking energy: -206.700
Base-Backbone interact. energy: -0.057
local terms energy: -246.234235
where:
bonds (distance) C4'-P energy: -48.759
bonds (distance) P-C4' energy: -48.973
flat angles C4'-P-C4' energy: -60.664
flat angles P-C4'-P energy: -31.043
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: 8, replica: 8
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -682.279751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.279751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.279751 (E_RNA)
where:
Base-Base interactions energy: -466.487
where: short stacking energy: -191.677
Base-Backbone interact. energy: 2.045
local terms energy: -217.837528
where:
bonds (distance) C4'-P energy: -39.634
bonds (distance) P-C4' energy: -47.344
flat angles C4'-P-C4' energy: -53.275
flat angles P-C4'-P energy: -27.091
tors. eta vs tors. theta energy: -50.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -613.612365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.612365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.612365 (E_RNA)
where:
Base-Base interactions energy: -396.606
where: short stacking energy: -161.113
Base-Backbone interact. energy: 0.755
local terms energy: -217.760943
where:
bonds (distance) C4'-P energy: -42.382
bonds (distance) P-C4' energy: -46.720
flat angles C4'-P-C4' energy: -50.351
flat angles P-C4'-P energy: -36.685
tors. eta vs tors. theta energy: -41.624
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: 6
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -303.652654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.652654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.652654 (E_RNA)
where:
Base-Base interactions energy: -163.431
where: short stacking energy: -99.070
Base-Backbone interact. energy: 1.326
local terms energy: -141.547657
where:
bonds (distance) C4'-P energy: -26.747
bonds (distance) P-C4' energy: -53.087
flat angles C4'-P-C4' energy: -42.022
flat angles P-C4'-P energy: -18.713
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: 1, replica: 5
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -904.614357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.614357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.614357 (E_RNA)
where:
Base-Base interactions energy: -634.099
where: short stacking energy: -254.380
Base-Backbone interact. energy: -1.827
local terms energy: -268.688331
where:
bonds (distance) C4'-P energy: -46.891
bonds (distance) P-C4' energy: -55.309
flat angles C4'-P-C4' energy: -57.527
flat angles P-C4'-P energy: -43.976
tors. eta vs tors. theta energy: -64.985
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: 10
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -907.628843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.628843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.628843 (E_RNA)
where:
Base-Base interactions energy: -626.063
where: short stacking energy: -267.612
Base-Backbone interact. energy: -0.648
local terms energy: -280.918107
where:
bonds (distance) C4'-P energy: -45.335
bonds (distance) P-C4' energy: -48.688
flat angles C4'-P-C4' energy: -62.625
flat angles P-C4'-P energy: -46.450
tors. eta vs tors. theta energy: -77.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -849.493166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.493166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.493166 (E_RNA)
where:
Base-Base interactions energy: -595.136
where: short stacking energy: -247.061
Base-Backbone interact. energy: 2.279
local terms energy: -256.637079
where:
bonds (distance) C4'-P energy: -56.144
bonds (distance) P-C4' energy: -42.972
flat angles C4'-P-C4' energy: -57.755
flat angles P-C4'-P energy: -36.027
tors. eta vs tors. theta energy: -63.739
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: 7
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -825.898294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.898294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.898294 (E_RNA)
where:
Base-Base interactions energy: -572.516
where: short stacking energy: -244.741
Base-Backbone interact. energy: -0.535
local terms energy: -252.847333
where:
bonds (distance) C4'-P energy: -44.113
bonds (distance) P-C4' energy: -47.545
flat angles C4'-P-C4' energy: -55.093
flat angles P-C4'-P energy: -39.798
tors. eta vs tors. theta energy: -66.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -785.884951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.884951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.884951 (E_RNA)
where:
Base-Base interactions energy: -541.872
where: short stacking energy: -227.387
Base-Backbone interact. energy: -0.148
local terms energy: -243.865138
where:
bonds (distance) C4'-P energy: -44.907
bonds (distance) P-C4' energy: -43.198
flat angles C4'-P-C4' energy: -54.854
flat angles P-C4'-P energy: -35.853
tors. eta vs tors. theta energy: -65.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -811.649732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.649732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.649732 (E_RNA)
where:
Base-Base interactions energy: -573.936
where: short stacking energy: -222.893
Base-Backbone interact. energy: -0.503
local terms energy: -237.211289
where:
bonds (distance) C4'-P energy: -46.574
bonds (distance) P-C4' energy: -46.120
flat angles C4'-P-C4' energy: -54.464
flat angles P-C4'-P energy: -24.113
tors. eta vs tors. theta energy: -65.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -765.417314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.417314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.417314 (E_RNA)
where:
Base-Base interactions energy: -532.257
where: short stacking energy: -223.048
Base-Backbone interact. energy: -0.425
local terms energy: -232.735254
where:
bonds (distance) C4'-P energy: -48.930
bonds (distance) P-C4' energy: -42.634
flat angles C4'-P-C4' energy: -50.325
flat angles P-C4'-P energy: -28.759
tors. eta vs tors. theta energy: -62.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -692.265651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.265651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.265651 (E_RNA)
where:
Base-Base interactions energy: -464.114
where: short stacking energy: -184.842
Base-Backbone interact. energy: -0.165
local terms energy: -227.985951
where:
bonds (distance) C4'-P energy: -41.990
bonds (distance) P-C4' energy: -49.712
flat angles C4'-P-C4' energy: -50.816
flat angles P-C4'-P energy: -29.727
tors. eta vs tors. theta energy: -55.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -612.719457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.719457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.719457 (E_RNA)
where:
Base-Base interactions energy: -400.191
where: short stacking energy: -172.887
Base-Backbone interact. energy: 0.197
local terms energy: -212.725180
where:
bonds (distance) C4'-P energy: -39.351
bonds (distance) P-C4' energy: -43.007
flat angles C4'-P-C4' energy: -57.682
flat angles P-C4'-P energy: -30.447
tors. eta vs tors. theta energy: -42.238
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: 6
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -231.239036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.239036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.239036 (E_RNA)
where:
Base-Base interactions energy: -87.319
where: short stacking energy: -75.586
Base-Backbone interact. energy: -1.035
local terms energy: -142.884468
where:
bonds (distance) C4'-P energy: -43.408
bonds (distance) P-C4' energy: -45.361
flat angles C4'-P-C4' energy: -41.030
flat angles P-C4'-P energy: -20.719
tors. eta vs tors. theta energy: 7.633
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: 38
Temperature: 0.900000
Total energy: -909.058149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.058149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.058149 (E_RNA)
where:
Base-Base interactions energy: -632.858
where: short stacking energy: -257.019
Base-Backbone interact. energy: -0.420
local terms energy: -275.780344
where:
bonds (distance) C4'-P energy: -52.234
bonds (distance) P-C4' energy: -57.056
flat angles C4'-P-C4' energy: -62.363
flat angles P-C4'-P energy: -38.759
tors. eta vs tors. theta energy: -65.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -903.428678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.428678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.428678 (E_RNA)
where:
Base-Base interactions energy: -619.011
where: short stacking energy: -266.234
Base-Backbone interact. energy: -1.743
local terms energy: -282.674891
where:
bonds (distance) C4'-P energy: -54.929
bonds (distance) P-C4' energy: -51.556
flat angles C4'-P-C4' energy: -57.422
flat angles P-C4'-P energy: -37.466
tors. eta vs tors. theta energy: -81.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -859.938864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.938864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.938864 (E_RNA)
where:
Base-Base interactions energy: -581.589
where: short stacking energy: -250.889
Base-Backbone interact. energy: -1.533
local terms energy: -276.817587
where:
bonds (distance) C4'-P energy: -58.653
bonds (distance) P-C4' energy: -49.063
flat angles C4'-P-C4' energy: -60.970
flat angles P-C4'-P energy: -36.999
tors. eta vs tors. theta energy: -71.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -826.095870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.095870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.095870 (E_RNA)
where:
Base-Base interactions energy: -572.394
where: short stacking energy: -246.262
Base-Backbone interact. energy: 1.371
local terms energy: -255.072848
where:
bonds (distance) C4'-P energy: -43.176
bonds (distance) P-C4' energy: -48.939
flat angles C4'-P-C4' energy: -58.298
flat angles P-C4'-P energy: -33.498
tors. eta vs tors. theta energy: -71.161
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: 38
Temperature: 1.100000
Total energy: -809.937035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.937035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.937035 (E_RNA)
where:
Base-Base interactions energy: -564.016
where: short stacking energy: -240.077
Base-Backbone interact. energy: -0.588
local terms energy: -245.332592
where:
bonds (distance) C4'-P energy: -39.863
bonds (distance) P-C4' energy: -50.783
flat angles C4'-P-C4' energy: -56.861
flat angles P-C4'-P energy: -33.998
tors. eta vs tors. theta energy: -63.828
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: 4
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -765.959449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.959449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.959449 (E_RNA)
where:
Base-Base interactions energy: -524.597
where: short stacking energy: -215.009
Base-Backbone interact. energy: -0.372
local terms energy: -240.990422
where:
bonds (distance) C4'-P energy: -46.321
bonds (distance) P-C4' energy: -52.881
flat angles C4'-P-C4' energy: -53.665
flat angles P-C4'-P energy: -36.877
tors. eta vs tors. theta energy: -51.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -764.070164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.070164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.070164 (E_RNA)
where:
Base-Base interactions energy: -514.513
where: short stacking energy: -210.849
Base-Backbone interact. energy: 0.816
local terms energy: -250.373184
where:
bonds (distance) C4'-P energy: -49.984
bonds (distance) P-C4' energy: -48.882
flat angles C4'-P-C4' energy: -51.227
flat angles P-C4'-P energy: -35.387
tors. eta vs tors. theta energy: -64.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -682.659865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.659865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.659865 (E_RNA)
where:
Base-Base interactions energy: -457.526
where: short stacking energy: -199.642
Base-Backbone interact. energy: 0.250
local terms energy: -225.384022
where:
bonds (distance) C4'-P energy: -39.538
bonds (distance) P-C4' energy: -45.537
flat angles C4'-P-C4' energy: -46.744
flat angles P-C4'-P energy: -39.634
tors. eta vs tors. theta energy: -53.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -621.629062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.629062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.629062 (E_RNA)
where:
Base-Base interactions energy: -409.085
where: short stacking energy: -179.376
Base-Backbone interact. energy: 0.238
local terms energy: -212.782298
where:
bonds (distance) C4'-P energy: -44.979
bonds (distance) P-C4' energy: -47.931
flat angles C4'-P-C4' energy: -47.264
flat angles P-C4'-P energy: -23.342
tors. eta vs tors. theta energy: -49.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -216.763877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.763877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.763877 (E_RNA)
where:
Base-Base interactions energy: -95.038
where: short stacking energy: -59.189
Base-Backbone interact. energy: -0.239
local terms energy: -121.487833
where:
bonds (distance) C4'-P energy: -46.320
bonds (distance) P-C4' energy: -46.308
flat angles C4'-P-C4' energy: -27.880
flat angles P-C4'-P energy: -13.544
tors. eta vs tors. theta energy: 12.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -908.425102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.425102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.425102 (E_RNA)
where:
Base-Base interactions energy: -631.413
where: short stacking energy: -255.408
Base-Backbone interact. energy: 2.905
local terms energy: -279.916783
where:
bonds (distance) C4'-P energy: -50.004
bonds (distance) P-C4' energy: -57.675
flat angles C4'-P-C4' energy: -61.443
flat angles P-C4'-P energy: -43.598
tors. eta vs tors. theta energy: -67.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -912.749259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.749259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.749259 (E_RNA)
where:
Base-Base interactions energy: -633.976
where: short stacking energy: -288.014
Base-Backbone interact. energy: -0.525
local terms energy: -278.248062
where:
bonds (distance) C4'-P energy: -54.217
bonds (distance) P-C4' energy: -44.318
flat angles C4'-P-C4' energy: -59.307
flat angles P-C4'-P energy: -41.438
tors. eta vs tors. theta energy: -78.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -857.746231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.746231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.746231 (E_RNA)
where:
Base-Base interactions energy: -588.335
where: short stacking energy: -262.911
Base-Backbone interact. energy: -0.865
local terms energy: -268.545761
where:
bonds (distance) C4'-P energy: -48.513
bonds (distance) P-C4' energy: -48.830
flat angles C4'-P-C4' energy: -59.473
flat angles P-C4'-P energy: -40.711
tors. eta vs tors. theta energy: -71.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -831.342264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.342264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.342264 (E_RNA)
where:
Base-Base interactions energy: -579.238
where: short stacking energy: -227.894
Base-Backbone interact. energy: 0.472
local terms energy: -252.577153
where:
bonds (distance) C4'-P energy: -46.233
bonds (distance) P-C4' energy: -54.705
flat angles C4'-P-C4' energy: -52.872
flat angles P-C4'-P energy: -36.927
tors. eta vs tors. theta energy: -61.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -831.757340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.757340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.757340 (E_RNA)
where:
Base-Base interactions energy: -565.547
where: short stacking energy: -243.660
Base-Backbone interact. energy: -0.536
local terms energy: -265.674385
where:
bonds (distance) C4'-P energy: -51.503
bonds (distance) P-C4' energy: -54.368
flat angles C4'-P-C4' energy: -54.668
flat angles P-C4'-P energy: -34.514
tors. eta vs tors. theta energy: -70.621
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: 4
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -744.756822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.756822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.756822 (E_RNA)
where:
Base-Base interactions energy: -504.733
where: short stacking energy: -226.810
Base-Backbone interact. energy: 0.005
local terms energy: -240.028409
where:
bonds (distance) C4'-P energy: -47.626
bonds (distance) P-C4' energy: -39.453
flat angles C4'-P-C4' energy: -57.021
flat angles P-C4'-P energy: -35.762
tors. eta vs tors. theta energy: -60.166
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: 3
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -770.738255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.738255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.738255 (E_RNA)
where:
Base-Base interactions energy: -542.126
where: short stacking energy: -221.109
Base-Backbone interact. energy: -0.815
local terms energy: -227.797453
where:
bonds (distance) C4'-P energy: -49.699
bonds (distance) P-C4' energy: -54.241
flat angles C4'-P-C4' energy: -42.056
flat angles P-C4'-P energy: -27.979
tors. eta vs tors. theta energy: -53.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -700.424102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.424102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.424102 (E_RNA)
where:
Base-Base interactions energy: -490.089
where: short stacking energy: -196.334
Base-Backbone interact. energy: -1.130
local terms energy: -209.205378
where:
bonds (distance) C4'-P energy: -46.699
bonds (distance) P-C4' energy: -34.666
flat angles C4'-P-C4' energy: -40.563
flat angles P-C4'-P energy: -31.131
tors. eta vs tors. theta energy: -56.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -589.629467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.629467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.629467 (E_RNA)
where:
Base-Base interactions energy: -402.717
where: short stacking energy: -164.523
Base-Backbone interact. energy: -2.085
local terms energy: -184.827703
where:
bonds (distance) C4'-P energy: -36.673
bonds (distance) P-C4' energy: -45.015
flat angles C4'-P-C4' energy: -39.535
flat angles P-C4'-P energy: -34.115
tors. eta vs tors. theta energy: -29.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -227.894165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.894165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.894165 (E_RNA)
where:
Base-Base interactions energy: -72.409
where: short stacking energy: -71.895
Base-Backbone interact. energy: 2.180
local terms energy: -157.665930
where:
bonds (distance) C4'-P energy: -43.025
bonds (distance) P-C4' energy: -46.829
flat angles C4'-P-C4' energy: -37.491
flat angles P-C4'-P energy: -26.769
tors. eta vs tors. theta energy: -3.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -933.217461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.217461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.217461 (E_RNA)
where:
Base-Base interactions energy: -647.304
where: short stacking energy: -288.324
Base-Backbone interact. energy: -0.712
local terms energy: -285.200840
where:
bonds (distance) C4'-P energy: -54.518
bonds (distance) P-C4' energy: -50.260
flat angles C4'-P-C4' energy: -55.246
flat angles P-C4'-P energy: -39.786
tors. eta vs tors. theta energy: -85.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -923.305009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.305009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.305009 (E_RNA)
where:
Base-Base interactions energy: -644.569
where: short stacking energy: -266.662
Base-Backbone interact. energy: -1.283
local terms energy: -277.453640
where:
bonds (distance) C4'-P energy: -54.851
bonds (distance) P-C4' energy: -52.765
flat angles C4'-P-C4' energy: -61.575
flat angles P-C4'-P energy: -39.651
tors. eta vs tors. theta energy: -68.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -871.630750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.630750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.630750 (E_RNA)
where:
Base-Base interactions energy: -604.060
where: short stacking energy: -251.162
Base-Backbone interact. energy: -0.686
local terms energy: -266.885488
where:
bonds (distance) C4'-P energy: -48.007
bonds (distance) P-C4' energy: -57.978
flat angles C4'-P-C4' energy: -54.009
flat angles P-C4'-P energy: -30.204
tors. eta vs tors. theta energy: -76.688
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: 40
Temperature: 1.050000
Total energy: -838.010741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.010741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.010741 (E_RNA)
where:
Base-Base interactions energy: -580.832
where: short stacking energy: -234.549
Base-Backbone interact. energy: -0.740
local terms energy: -256.438235
where:
bonds (distance) C4'-P energy: -54.967
bonds (distance) P-C4' energy: -55.795
flat angles C4'-P-C4' energy: -55.948
flat angles P-C4'-P energy: -32.193
tors. eta vs tors. theta energy: -57.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -800.197069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.197069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.197069 (E_RNA)
where:
Base-Base interactions energy: -554.725
where: short stacking energy: -226.669
Base-Backbone interact. energy: -0.292
local terms energy: -245.179207
where:
bonds (distance) C4'-P energy: -48.463
bonds (distance) P-C4' energy: -39.594
flat angles C4'-P-C4' energy: -55.681
flat angles P-C4'-P energy: -35.756
tors. eta vs tors. theta energy: -65.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -756.643555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.643555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.643555 (E_RNA)
where:
Base-Base interactions energy: -524.057
where: short stacking energy: -224.811
Base-Backbone interact. energy: -0.510
local terms energy: -232.076855
where:
bonds (distance) C4'-P energy: -45.251
bonds (distance) P-C4' energy: -42.716
flat angles C4'-P-C4' energy: -54.630
flat angles P-C4'-P energy: -31.609
tors. eta vs tors. theta energy: -57.872
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: 3
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -772.081547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.081547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.081547 (E_RNA)
where:
Base-Base interactions energy: -547.192
where: short stacking energy: -227.485
Base-Backbone interact. energy: -0.370
local terms energy: -224.518788
where:
bonds (distance) C4'-P energy: -44.900
bonds (distance) P-C4' energy: -38.163
flat angles C4'-P-C4' energy: -50.112
flat angles P-C4'-P energy: -26.988
tors. eta vs tors. theta energy: -64.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -706.746200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.746200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.746200 (E_RNA)
where:
Base-Base interactions energy: -479.728
where: short stacking energy: -185.882
Base-Backbone interact. energy: 1.329
local terms energy: -228.346886
where:
bonds (distance) C4'-P energy: -45.442
bonds (distance) P-C4' energy: -43.911
flat angles C4'-P-C4' energy: -56.594
flat angles P-C4'-P energy: -36.334
tors. eta vs tors. theta energy: -46.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -641.272496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.272496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.272496 (E_RNA)
where:
Base-Base interactions energy: -438.032
where: short stacking energy: -170.803
Base-Backbone interact. energy: -0.930
local terms energy: -202.310374
where:
bonds (distance) C4'-P energy: -47.646
bonds (distance) P-C4' energy: -37.820
flat angles C4'-P-C4' energy: -47.400
flat angles P-C4'-P energy: -22.909
tors. eta vs tors. theta energy: -46.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -230.452616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.452616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.452616 (E_RNA)
where:
Base-Base interactions energy: -88.096
where: short stacking energy: -61.549
Base-Backbone interact. energy: -2.964
local terms energy: -139.392070
where:
bonds (distance) C4'-P energy: -42.405
bonds (distance) P-C4' energy: -46.468
flat angles C4'-P-C4' energy: -30.249
flat angles P-C4'-P energy: -30.783
tors. eta vs tors. theta energy: 10.512
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: 10
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -904.405653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.405653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.405653 (E_RNA)
where:
Base-Base interactions energy: -634.191
where: short stacking energy: -274.798
Base-Backbone interact. energy: 0.555
local terms energy: -270.769907
where:
bonds (distance) C4'-P energy: -43.654
bonds (distance) P-C4' energy: -52.898
flat angles C4'-P-C4' energy: -58.331
flat angles P-C4'-P energy: -41.861
tors. eta vs tors. theta energy: -74.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -894.122481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.122481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.122481 (E_RNA)
where:
Base-Base interactions energy: -631.556
where: short stacking energy: -235.418
Base-Backbone interact. energy: -2.389
local terms energy: -260.176906
where:
bonds (distance) C4'-P energy: -55.529
bonds (distance) P-C4' energy: -49.413
flat angles C4'-P-C4' energy: -60.972
flat angles P-C4'-P energy: -32.283
tors. eta vs tors. theta energy: -61.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -866.498106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.498106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.498106 (E_RNA)
where:
Base-Base interactions energy: -601.384
where: short stacking energy: -254.654
Base-Backbone interact. energy: -0.385
local terms energy: -264.728658
where:
bonds (distance) C4'-P energy: -41.831
bonds (distance) P-C4' energy: -45.020
flat angles C4'-P-C4' energy: -59.049
flat angles P-C4'-P energy: -42.902
tors. eta vs tors. theta energy: -75.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -851.161488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.161488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.161488 (E_RNA)
where:
Base-Base interactions energy: -604.594
where: short stacking energy: -244.352
Base-Backbone interact. energy: -1.201
local terms energy: -245.366327
where:
bonds (distance) C4'-P energy: -44.161
bonds (distance) P-C4' energy: -56.503
flat angles C4'-P-C4' energy: -49.338
flat angles P-C4'-P energy: -31.641
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: 5, replica: 1
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -793.372429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.372429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.372429 (E_RNA)
where:
Base-Base interactions energy: -535.582
where: short stacking energy: -232.644
Base-Backbone interact. energy: -0.546
local terms energy: -257.245140
where:
bonds (distance) C4'-P energy: -49.311
bonds (distance) P-C4' energy: -47.415
flat angles C4'-P-C4' energy: -54.005
flat angles P-C4'-P energy: -34.604
tors. eta vs tors. theta energy: -71.910
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: 3
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -811.546234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.546234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.546234 (E_RNA)
where:
Base-Base interactions energy: -570.615
where: short stacking energy: -228.270
Base-Backbone interact. energy: -0.331
local terms energy: -240.600394
where:
bonds (distance) C4'-P energy: -49.021
bonds (distance) P-C4' energy: -44.722
flat angles C4'-P-C4' energy: -40.778
flat angles P-C4'-P energy: -42.643
tors. eta vs tors. theta energy: -63.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -723.541515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.541515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.541515 (E_RNA)
where:
Base-Base interactions energy: -483.175
where: short stacking energy: -195.776
Base-Backbone interact. energy: 0.319
local terms energy: -240.685496
where:
bonds (distance) C4'-P energy: -50.163
bonds (distance) P-C4' energy: -47.857
flat angles C4'-P-C4' energy: -52.080
flat angles P-C4'-P energy: -41.098
tors. eta vs tors. theta energy: -49.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -694.509659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.509659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.509659 (E_RNA)
where:
Base-Base interactions energy: -484.491
where: short stacking energy: -179.129
Base-Backbone interact. energy: 0.302
local terms energy: -210.320608
where:
bonds (distance) C4'-P energy: -49.862
bonds (distance) P-C4' energy: -49.677
flat angles C4'-P-C4' energy: -31.123
flat angles P-C4'-P energy: -38.000
tors. eta vs tors. theta energy: -41.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -641.551012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.551012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.551012 (E_RNA)
where:
Base-Base interactions energy: -421.957
where: short stacking energy: -183.936
Base-Backbone interact. energy: -2.108
local terms energy: -217.485525
where:
bonds (distance) C4'-P energy: -42.141
bonds (distance) P-C4' energy: -41.199
flat angles C4'-P-C4' energy: -48.711
flat angles P-C4'-P energy: -30.175
tors. eta vs tors. theta energy: -55.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -241.251571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.251571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.251571 (E_RNA)
where:
Base-Base interactions energy: -86.285
where: short stacking energy: -81.786
Base-Backbone interact. energy: -0.173
local terms energy: -154.793666
where:
bonds (distance) C4'-P energy: -42.502
bonds (distance) P-C4' energy: -50.707
flat angles C4'-P-C4' energy: -44.207
flat angles P-C4'-P energy: -14.240
tors. eta vs tors. theta energy: -3.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -913.803113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.803113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.803113 (E_RNA)
where:
Base-Base interactions energy: -624.873
where: short stacking energy: -269.704
Base-Backbone interact. energy: -0.829
local terms energy: -288.101797
where:
bonds (distance) C4'-P energy: -49.287
bonds (distance) P-C4' energy: -62.619
flat angles C4'-P-C4' energy: -60.340
flat angles P-C4'-P energy: -38.667
tors. eta vs tors. theta energy: -77.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -901.210960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.210960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.210960 (E_RNA)
where:
Base-Base interactions energy: -628.233
where: short stacking energy: -250.222
Base-Backbone interact. energy: -0.480
local terms energy: -272.497982
where:
bonds (distance) C4'-P energy: -45.228
bonds (distance) P-C4' energy: -49.900
flat angles C4'-P-C4' energy: -60.894
flat angles P-C4'-P energy: -45.166
tors. eta vs tors. theta energy: -71.310
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: 2
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -855.806479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.806479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.806479 (E_RNA)
where:
Base-Base interactions energy: -595.121
where: short stacking energy: -249.915
Base-Backbone interact. energy: -0.841
local terms energy: -259.844466
where:
bonds (distance) C4'-P energy: -51.855
bonds (distance) P-C4' energy: -47.850
flat angles C4'-P-C4' energy: -57.241
flat angles P-C4'-P energy: -31.855
tors. eta vs tors. theta energy: -71.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -822.086482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.086482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.086482 (E_RNA)
where:
Base-Base interactions energy: -576.337
where: short stacking energy: -230.328
Base-Backbone interact. energy: -1.503
local terms energy: -244.246074
where:
bonds (distance) C4'-P energy: -44.011
bonds (distance) P-C4' energy: -49.876
flat angles C4'-P-C4' energy: -46.959
flat angles P-C4'-P energy: -38.520
tors. eta vs tors. theta energy: -64.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -831.809036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.809036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.809036 (E_RNA)
where:
Base-Base interactions energy: -587.676
where: short stacking energy: -247.630
Base-Backbone interact. energy: 1.770
local terms energy: -245.903054
where:
bonds (distance) C4'-P energy: -36.404
bonds (distance) P-C4' energy: -51.487
flat angles C4'-P-C4' energy: -50.701
flat angles P-C4'-P energy: -37.211
tors. eta vs tors. theta energy: -70.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -747.933329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.933329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.933329 (E_RNA)
where:
Base-Base interactions energy: -529.751
where: short stacking energy: -217.145
Base-Backbone interact. energy: -0.456
local terms energy: -217.726233
where:
bonds (distance) C4'-P energy: -39.507
bonds (distance) P-C4' energy: -39.504
flat angles C4'-P-C4' energy: -49.312
flat angles P-C4'-P energy: -31.392
tors. eta vs tors. theta energy: -58.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -737.724619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.724619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.724619 (E_RNA)
where:
Base-Base interactions energy: -499.218
where: short stacking energy: -204.871
Base-Backbone interact. energy: -2.146
local terms energy: -236.360952
where:
bonds (distance) C4'-P energy: -44.098
bonds (distance) P-C4' energy: -55.650
flat angles C4'-P-C4' energy: -51.485
flat angles P-C4'-P energy: -25.644
tors. eta vs tors. theta energy: -59.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -695.376979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.376979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.376979 (E_RNA)
where:
Base-Base interactions energy: -479.278
where: short stacking energy: -190.745
Base-Backbone interact. energy: -1.447
local terms energy: -214.652620
where:
bonds (distance) C4'-P energy: -40.639
bonds (distance) P-C4' energy: -45.016
flat angles C4'-P-C4' energy: -48.760
flat angles P-C4'-P energy: -38.825
tors. eta vs tors. theta energy: -41.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -655.270405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.270405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.270405 (E_RNA)
where:
Base-Base interactions energy: -443.762
where: short stacking energy: -194.157
Base-Backbone interact. energy: -0.394
local terms energy: -211.114464
where:
bonds (distance) C4'-P energy: -36.157
bonds (distance) P-C4' energy: -44.153
flat angles C4'-P-C4' energy: -51.148
flat angles P-C4'-P energy: -19.792
tors. eta vs tors. theta energy: -59.864
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: 6
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -212.810181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.810181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.810181 (E_RNA)
where:
Base-Base interactions energy: -86.348
where: short stacking energy: -70.647
Base-Backbone interact. energy: 2.514
local terms energy: -128.976458
where:
bonds (distance) C4'-P energy: -42.279
bonds (distance) P-C4' energy: -46.835
flat angles C4'-P-C4' energy: -30.668
flat angles P-C4'-P energy: -7.940
tors. eta vs tors. theta energy: -1.255
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: 10
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -911.164925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.164925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.164925 (E_RNA)
where:
Base-Base interactions energy: -619.470
where: short stacking energy: -257.256
Base-Backbone interact. energy: -0.503
local terms energy: -291.191607
where:
bonds (distance) C4'-P energy: -48.455
bonds (distance) P-C4' energy: -60.298
flat angles C4'-P-C4' energy: -60.607
flat angles P-C4'-P energy: -40.168
tors. eta vs tors. theta energy: -81.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -933.156201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.156201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.156201 (E_RNA)
where:
Base-Base interactions energy: -653.455
where: short stacking energy: -256.414
Base-Backbone interact. energy: 0.126
local terms energy: -279.827211
where:
bonds (distance) C4'-P energy: -52.184
bonds (distance) P-C4' energy: -58.282
flat angles C4'-P-C4' energy: -59.934
flat angles P-C4'-P energy: -39.590
tors. eta vs tors. theta energy: -69.838
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: 43
Temperature: 1.000000
Total energy: -846.569591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.569591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.569591 (E_RNA)
where:
Base-Base interactions energy: -579.015
where: short stacking energy: -236.861
Base-Backbone interact. energy: -0.290
local terms energy: -267.264227
where:
bonds (distance) C4'-P energy: -51.912
bonds (distance) P-C4' energy: -51.762
flat angles C4'-P-C4' energy: -60.254
flat angles P-C4'-P energy: -38.316
tors. eta vs tors. theta energy: -65.021
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: 7
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -832.610221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.610221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.610221 (E_RNA)
where:
Base-Base interactions energy: -576.661
where: short stacking energy: -229.124
Base-Backbone interact. energy: -0.635
local terms energy: -255.314853
where:
bonds (distance) C4'-P energy: -51.589
bonds (distance) P-C4' energy: -49.920
flat angles C4'-P-C4' energy: -50.451
flat angles P-C4'-P energy: -38.551
tors. eta vs tors. theta energy: -64.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -815.247860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.247860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.247860 (E_RNA)
where:
Base-Base interactions energy: -561.328
where: short stacking energy: -239.843
Base-Backbone interact. energy: -0.117
local terms energy: -253.802717
where:
bonds (distance) C4'-P energy: -34.905
bonds (distance) P-C4' energy: -43.986
flat angles C4'-P-C4' energy: -64.802
flat angles P-C4'-P energy: -42.981
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: 6, replica: 8
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -771.208314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.208314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.208314 (E_RNA)
where:
Base-Base interactions energy: -525.082
where: short stacking energy: -215.273
Base-Backbone interact. energy: -0.957
local terms energy: -245.169821
where:
bonds (distance) C4'-P energy: -51.143
bonds (distance) P-C4' energy: -49.203
flat angles C4'-P-C4' energy: -45.374
flat angles P-C4'-P energy: -36.722
tors. eta vs tors. theta energy: -62.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -744.623380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.623380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.623380 (E_RNA)
where:
Base-Base interactions energy: -529.076
where: short stacking energy: -210.071
Base-Backbone interact. energy: -0.872
local terms energy: -214.675877
where:
bonds (distance) C4'-P energy: -38.802
bonds (distance) P-C4' energy: -38.781
flat angles C4'-P-C4' energy: -41.958
flat angles P-C4'-P energy: -33.845
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: 8, replica: 4
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -700.281613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.281613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.281613 (E_RNA)
where:
Base-Base interactions energy: -480.068
where: short stacking energy: -184.220
Base-Backbone interact. energy: -0.991
local terms energy: -219.222176
where:
bonds (distance) C4'-P energy: -42.197
bonds (distance) P-C4' energy: -45.021
flat angles C4'-P-C4' energy: -51.131
flat angles P-C4'-P energy: -36.861
tors. eta vs tors. theta energy: -44.012
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: 9, replica: 9
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -651.234365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.234365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.234365 (E_RNA)
where:
Base-Base interactions energy: -436.512
where: short stacking energy: -180.338
Base-Backbone interact. energy: 0.153
local terms energy: -214.875850
where:
bonds (distance) C4'-P energy: -50.967
bonds (distance) P-C4' energy: -49.038
flat angles C4'-P-C4' energy: -52.602
flat angles P-C4'-P energy: -25.589
tors. eta vs tors. theta energy: -36.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -216.395881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.395881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.395881 (E_RNA)
where:
Base-Base interactions energy: -79.530
where: short stacking energy: -73.594
Base-Backbone interact. energy: -1.487
local terms energy: -135.378094
where:
bonds (distance) C4'-P energy: -30.470
bonds (distance) P-C4' energy: -48.113
flat angles C4'-P-C4' energy: -31.366
flat angles P-C4'-P energy: -26.095
tors. eta vs tors. theta energy: 0.666
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: 5
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -947.232052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.232052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.232052 (E_RNA)
where:
Base-Base interactions energy: -664.309
where: short stacking energy: -264.843
Base-Backbone interact. energy: -1.026
local terms energy: -281.896707
where:
bonds (distance) C4'-P energy: -55.031
bonds (distance) P-C4' energy: -55.932
flat angles C4'-P-C4' energy: -59.412
flat angles P-C4'-P energy: -42.738
tors. eta vs tors. theta energy: -68.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -911.524601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.524601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.524601 (E_RNA)
where:
Base-Base interactions energy: -629.335
where: short stacking energy: -282.639
Base-Backbone interact. energy: -0.919
local terms energy: -281.270702
where:
bonds (distance) C4'-P energy: -56.305
bonds (distance) P-C4' energy: -49.770
flat angles C4'-P-C4' energy: -54.530
flat angles P-C4'-P energy: -40.240
tors. eta vs tors. theta energy: -80.426
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: 7
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -877.391381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.391381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.391381 (E_RNA)
where:
Base-Base interactions energy: -609.291
where: short stacking energy: -273.067
Base-Backbone interact. energy: -0.196
local terms energy: -267.904549
where:
bonds (distance) C4'-P energy: -43.454
bonds (distance) P-C4' energy: -47.638
flat angles C4'-P-C4' energy: -51.623
flat angles P-C4'-P energy: -47.104
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: 4, replica: 2
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -846.088673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.088673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.088673 (E_RNA)
where:
Base-Base interactions energy: -583.118
where: short stacking energy: -246.333
Base-Backbone interact. energy: -0.769
local terms energy: -262.201564
where:
bonds (distance) C4'-P energy: -49.846
bonds (distance) P-C4' energy: -55.308
flat angles C4'-P-C4' energy: -54.777
flat angles P-C4'-P energy: -32.341
tors. eta vs tors. theta energy: -69.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -801.507715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.507715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.507715 (E_RNA)
where:
Base-Base interactions energy: -559.660
where: short stacking energy: -235.659
Base-Backbone interact. energy: 0.613
local terms energy: -242.461170
where:
bonds (distance) C4'-P energy: -44.967
bonds (distance) P-C4' energy: -47.667
flat angles C4'-P-C4' energy: -52.794
flat angles P-C4'-P energy: -35.892
tors. eta vs tors. theta energy: -61.141
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: 8
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -761.964788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.964788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.964788 (E_RNA)
where:
Base-Base interactions energy: -536.644
where: short stacking energy: -205.483
Base-Backbone interact. energy: -1.267
local terms energy: -224.053444
where:
bonds (distance) C4'-P energy: -47.644
bonds (distance) P-C4' energy: -50.664
flat angles C4'-P-C4' energy: -48.758
flat angles P-C4'-P energy: -28.926
tors. eta vs tors. theta energy: -48.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -717.429947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.429947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.429947 (E_RNA)
where:
Base-Base interactions energy: -502.656
where: short stacking energy: -198.805
Base-Backbone interact. energy: -1.731
local terms energy: -213.043583
where:
bonds (distance) C4'-P energy: -47.558
bonds (distance) P-C4' energy: -34.524
flat angles C4'-P-C4' energy: -48.679
flat angles P-C4'-P energy: -28.898
tors. eta vs tors. theta energy: -53.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -748.730245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.730245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.730245 (E_RNA)
where:
Base-Base interactions energy: -508.521
where: short stacking energy: -203.928
Base-Backbone interact. energy: 0.271
local terms energy: -240.480610
where:
bonds (distance) C4'-P energy: -47.213
bonds (distance) P-C4' energy: -50.827
flat angles C4'-P-C4' energy: -47.095
flat angles P-C4'-P energy: -38.703
tors. eta vs tors. theta energy: -56.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -665.917628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.917628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.917628 (E_RNA)
where:
Base-Base interactions energy: -463.090
where: short stacking energy: -189.840
Base-Backbone interact. energy: -1.839
local terms energy: -200.988375
where:
bonds (distance) C4'-P energy: -37.764
bonds (distance) P-C4' energy: -50.486
flat angles C4'-P-C4' energy: -42.733
flat angles P-C4'-P energy: -25.474
tors. eta vs tors. theta energy: -44.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -229.245344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.245344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.245344 (E_RNA)
where:
Base-Base interactions energy: -95.542
where: short stacking energy: -78.499
Base-Backbone interact. energy: 0.185
local terms energy: -133.887883
where:
bonds (distance) C4'-P energy: -38.583
bonds (distance) P-C4' energy: -56.680
flat angles C4'-P-C4' energy: -34.455
flat angles P-C4'-P energy: -12.626
tors. eta vs tors. theta energy: 8.455
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: 1, replica: 5
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -920.608862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.608862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.608862 (E_RNA)
where:
Base-Base interactions energy: -641.587
where: short stacking energy: -260.059
Base-Backbone interact. energy: -0.726
local terms energy: -278.296750
where:
bonds (distance) C4'-P energy: -47.722
bonds (distance) P-C4' energy: -56.003
flat angles C4'-P-C4' energy: -60.904
flat angles P-C4'-P energy: -41.127
tors. eta vs tors. theta energy: -72.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -903.086071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.086071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.086071 (E_RNA)
where:
Base-Base interactions energy: -628.550
where: short stacking energy: -262.791
Base-Backbone interact. energy: -0.398
local terms energy: -274.137698
where:
bonds (distance) C4'-P energy: -49.108
bonds (distance) P-C4' energy: -53.532
flat angles C4'-P-C4' energy: -59.756
flat angles P-C4'-P energy: -34.745
tors. eta vs tors. theta energy: -76.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -868.553315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.553315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.553315 (E_RNA)
where:
Base-Base interactions energy: -597.393
where: short stacking energy: -261.696
Base-Backbone interact. energy: -1.012
local terms energy: -270.148602
where:
bonds (distance) C4'-P energy: -51.191
bonds (distance) P-C4' energy: -50.697
flat angles C4'-P-C4' energy: -53.685
flat angles P-C4'-P energy: -40.074
tors. eta vs tors. theta energy: -74.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -830.699903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.699903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.699903 (E_RNA)
where:
Base-Base interactions energy: -576.535
where: short stacking energy: -242.578
Base-Backbone interact. energy: -0.777
local terms energy: -253.387514
where:
bonds (distance) C4'-P energy: -46.183
bonds (distance) P-C4' energy: -44.946
flat angles C4'-P-C4' energy: -57.399
flat angles P-C4'-P energy: -38.644
tors. eta vs tors. theta energy: -66.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -784.378737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.378737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.378737 (E_RNA)
where:
Base-Base interactions energy: -551.323
where: short stacking energy: -227.109
Base-Backbone interact. energy: 3.186
local terms energy: -236.241099
where:
bonds (distance) C4'-P energy: -39.014
bonds (distance) P-C4' energy: -61.833
flat angles C4'-P-C4' energy: -49.372
flat angles P-C4'-P energy: -29.499
tors. eta vs tors. theta energy: -56.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -739.719433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.719433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.719433 (E_RNA)
where:
Base-Base interactions energy: -510.251
where: short stacking energy: -212.227
Base-Backbone interact. energy: 3.697
local terms energy: -233.165842
where:
bonds (distance) C4'-P energy: -42.502
bonds (distance) P-C4' energy: -43.812
flat angles C4'-P-C4' energy: -58.838
flat angles P-C4'-P energy: -36.547
tors. eta vs tors. theta energy: -51.467
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: 8
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -736.946089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.946089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.946089 (E_RNA)
where:
Base-Base interactions energy: -500.539
where: short stacking energy: -196.435
Base-Backbone interact. energy: -0.419
local terms energy: -235.987979
where:
bonds (distance) C4'-P energy: -38.676
bonds (distance) P-C4' energy: -54.953
flat angles C4'-P-C4' energy: -44.051
flat angles P-C4'-P energy: -36.030
tors. eta vs tors. theta energy: -62.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -765.088234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.088234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.088234 (E_RNA)
where:
Base-Base interactions energy: -547.627
where: short stacking energy: -211.749
Base-Backbone interact. energy: -0.867
local terms energy: -216.594351
where:
bonds (distance) C4'-P energy: -35.485
bonds (distance) P-C4' energy: -42.965
flat angles C4'-P-C4' energy: -42.649
flat angles P-C4'-P energy: -37.140
tors. eta vs tors. theta energy: -58.356
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: 9
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -680.505337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.505337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.505337 (E_RNA)
where:
Base-Base interactions energy: -471.105
where: short stacking energy: -192.708
Base-Backbone interact. energy: -0.765
local terms energy: -208.635582
where:
bonds (distance) C4'-P energy: -43.389
bonds (distance) P-C4' energy: -45.727
flat angles C4'-P-C4' energy: -43.933
flat angles P-C4'-P energy: -26.999
tors. eta vs tors. theta energy: -48.587
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: 6
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -247.009208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.009208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.009208 (E_RNA)
where:
Base-Base interactions energy: -107.305
where: short stacking energy: -61.690
Base-Backbone interact. energy: -0.100
local terms energy: -139.604732
where:
bonds (distance) C4'-P energy: -37.082
bonds (distance) P-C4' energy: -37.403
flat angles C4'-P-C4' energy: -43.264
flat angles P-C4'-P energy: -31.419
tors. eta vs tors. theta energy: 9.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -922.227058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.227058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.227058 (E_RNA)
where:
Base-Base interactions energy: -651.942
where: short stacking energy: -281.931
Base-Backbone interact. energy: -1.684
local terms energy: -268.600532
where:
bonds (distance) C4'-P energy: -56.904
bonds (distance) P-C4' energy: -45.171
flat angles C4'-P-C4' energy: -56.148
flat angles P-C4'-P energy: -39.028
tors. eta vs tors. theta energy: -71.349
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: 10
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -907.778984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.778984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.778984 (E_RNA)
where:
Base-Base interactions energy: -636.630
where: short stacking energy: -272.659
Base-Backbone interact. energy: -0.369
local terms energy: -270.779654
where:
bonds (distance) C4'-P energy: -51.827
bonds (distance) P-C4' energy: -39.022
flat angles C4'-P-C4' energy: -63.660
flat angles P-C4'-P energy: -37.938
tors. eta vs tors. theta energy: -78.332
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: 7
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -880.642155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.642155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.642155 (E_RNA)
where:
Base-Base interactions energy: -604.613
where: short stacking energy: -269.622
Base-Backbone interact. energy: -0.868
local terms energy: -275.160945
where:
bonds (distance) C4'-P energy: -49.664
bonds (distance) P-C4' energy: -54.550
flat angles C4'-P-C4' energy: -52.740
flat angles P-C4'-P energy: -39.774
tors. eta vs tors. theta energy: -78.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -826.503939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.503939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.503939 (E_RNA)
where:
Base-Base interactions energy: -564.935
where: short stacking energy: -224.223
Base-Backbone interact. energy: -1.041
local terms energy: -260.528489
where:
bonds (distance) C4'-P energy: -48.638
bonds (distance) P-C4' energy: -54.496
flat angles C4'-P-C4' energy: -60.287
flat angles P-C4'-P energy: -34.932
tors. eta vs tors. theta energy: -62.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -810.803360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.803360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.803360 (E_RNA)
where:
Base-Base interactions energy: -557.009
where: short stacking energy: -227.567
Base-Backbone interact. energy: 2.410
local terms energy: -256.203680
where:
bonds (distance) C4'-P energy: -51.120
bonds (distance) P-C4' energy: -51.200
flat angles C4'-P-C4' energy: -53.225
flat angles P-C4'-P energy: -36.418
tors. eta vs tors. theta energy: -64.241
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: 46
Temperature: 1.150000
Total energy: -753.649838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.649838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.649838 (E_RNA)
where:
Base-Base interactions energy: -510.827
where: short stacking energy: -205.089
Base-Backbone interact. energy: -0.297
local terms energy: -242.526276
where:
bonds (distance) C4'-P energy: -43.909
bonds (distance) P-C4' energy: -44.291
flat angles C4'-P-C4' energy: -58.404
flat angles P-C4'-P energy: -37.191
tors. eta vs tors. theta energy: -58.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -715.269894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.269894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.269894 (E_RNA)
where:
Base-Base interactions energy: -496.875
where: short stacking energy: -201.610
Base-Backbone interact. energy: 1.134
local terms energy: -219.528081
where:
bonds (distance) C4'-P energy: -42.184
bonds (distance) P-C4' energy: -44.817
flat angles C4'-P-C4' energy: -49.436
flat angles P-C4'-P energy: -27.512
tors. eta vs tors. theta energy: -55.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -716.325896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.325896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.325896 (E_RNA)
where:
Base-Base interactions energy: -484.066
where: short stacking energy: -198.164
Base-Backbone interact. energy: -0.010
local terms energy: -232.249284
where:
bonds (distance) C4'-P energy: -47.390
bonds (distance) P-C4' energy: -49.000
flat angles C4'-P-C4' energy: -53.520
flat angles P-C4'-P energy: -32.146
tors. eta vs tors. theta energy: -50.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -700.128097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.128097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.128097 (E_RNA)
where:
Base-Base interactions energy: -491.308
where: short stacking energy: -204.775
Base-Backbone interact. energy: 3.953
local terms energy: -212.772687
where:
bonds (distance) C4'-P energy: -46.521
bonds (distance) P-C4' energy: -39.300
flat angles C4'-P-C4' energy: -49.318
flat angles P-C4'-P energy: -22.911
tors. eta vs tors. theta energy: -54.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -226.287175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.287175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.287175 (E_RNA)
where:
Base-Base interactions energy: -90.920
where: short stacking energy: -79.907
Base-Backbone interact. energy: -0.666
local terms energy: -134.701287
where:
bonds (distance) C4'-P energy: -37.355
bonds (distance) P-C4' energy: -47.179
flat angles C4'-P-C4' energy: -30.456
flat angles P-C4'-P energy: -25.934
tors. eta vs tors. theta energy: 6.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -920.767495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.767495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.767495 (E_RNA)
where:
Base-Base interactions energy: -646.543
where: short stacking energy: -259.799
Base-Backbone interact. energy: -2.021
local terms energy: -272.203667
where:
bonds (distance) C4'-P energy: -46.406
bonds (distance) P-C4' energy: -58.822
flat angles C4'-P-C4' energy: -57.639
flat angles P-C4'-P energy: -45.084
tors. eta vs tors. theta energy: -64.253
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: 7
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -866.363731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.363731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.363731 (E_RNA)
where:
Base-Base interactions energy: -593.457
where: short stacking energy: -262.295
Base-Backbone interact. energy: -0.761
local terms energy: -272.145110
where:
bonds (distance) C4'-P energy: -50.874
bonds (distance) P-C4' energy: -47.350
flat angles C4'-P-C4' energy: -65.799
flat angles P-C4'-P energy: -36.512
tors. eta vs tors. theta energy: -71.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -870.733998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.733998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.733998 (E_RNA)
where:
Base-Base interactions energy: -590.087
where: short stacking energy: -246.222
Base-Backbone interact. energy: -0.904
local terms energy: -279.742630
where:
bonds (distance) C4'-P energy: -55.107
bonds (distance) P-C4' energy: -54.299
flat angles C4'-P-C4' energy: -55.093
flat angles P-C4'-P energy: -45.555
tors. eta vs tors. theta energy: -69.688
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: 47
Temperature: 1.050000
Total energy: -825.926311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.926311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.926311 (E_RNA)
where:
Base-Base interactions energy: -588.472
where: short stacking energy: -237.755
Base-Backbone interact. energy: 2.669
local terms energy: -240.122936
where:
bonds (distance) C4'-P energy: -37.902
bonds (distance) P-C4' energy: -47.659
flat angles C4'-P-C4' energy: -61.203
flat angles P-C4'-P energy: -31.024
tors. eta vs tors. theta energy: -62.334
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: 3
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -822.935283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.935283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.935283 (E_RNA)
where:
Base-Base interactions energy: -568.536
where: short stacking energy: -245.544
Base-Backbone interact. energy: -0.683
local terms energy: -253.717227
where:
bonds (distance) C4'-P energy: -47.682
bonds (distance) P-C4' energy: -44.433
flat angles C4'-P-C4' energy: -50.924
flat angles P-C4'-P energy: -35.336
tors. eta vs tors. theta energy: -75.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -749.675337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.675337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.675337 (E_RNA)
where:
Base-Base interactions energy: -523.264
where: short stacking energy: -225.540
Base-Backbone interact. energy: 0.305
local terms energy: -226.715836
where:
bonds (distance) C4'-P energy: -44.540
bonds (distance) P-C4' energy: -45.279
flat angles C4'-P-C4' energy: -50.244
flat angles P-C4'-P energy: -31.013
tors. eta vs tors. theta energy: -55.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -734.812326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.812326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.812326 (E_RNA)
where:
Base-Base interactions energy: -513.477
where: short stacking energy: -197.156
Base-Backbone interact. energy: 1.594
local terms energy: -222.929511
where:
bonds (distance) C4'-P energy: -46.010
bonds (distance) P-C4' energy: -39.505
flat angles C4'-P-C4' energy: -48.333
flat angles P-C4'-P energy: -34.444
tors. eta vs tors. theta energy: -54.638
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: 1
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -710.882567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.882567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.882567 (E_RNA)
where:
Base-Base interactions energy: -481.734
where: short stacking energy: -188.668
Base-Backbone interact. energy: -0.773
local terms energy: -228.375249
where:
bonds (distance) C4'-P energy: -42.229
bonds (distance) P-C4' energy: -55.233
flat angles C4'-P-C4' energy: -44.671
flat angles P-C4'-P energy: -35.770
tors. eta vs tors. theta energy: -50.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -663.470534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.470534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.470534 (E_RNA)
where:
Base-Base interactions energy: -452.248
where: short stacking energy: -198.285
Base-Backbone interact. energy: -1.064
local terms energy: -210.157623
where:
bonds (distance) C4'-P energy: -47.282
bonds (distance) P-C4' energy: -48.340
flat angles C4'-P-C4' energy: -33.661
flat angles P-C4'-P energy: -32.779
tors. eta vs tors. theta energy: -48.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -237.681896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.681896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.681896 (E_RNA)
where:
Base-Base interactions energy: -71.493
where: short stacking energy: -57.096
Base-Backbone interact. energy: -0.097
local terms energy: -166.091493
where:
bonds (distance) C4'-P energy: -37.347
bonds (distance) P-C4' energy: -51.949
flat angles C4'-P-C4' energy: -47.830
flat angles P-C4'-P energy: -21.074
tors. eta vs tors. theta energy: -7.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -931.410020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.410020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.410020 (E_RNA)
where:
Base-Base interactions energy: -659.612
where: short stacking energy: -266.560
Base-Backbone interact. energy: 0.513
local terms energy: -272.311608
where:
bonds (distance) C4'-P energy: -46.796
bonds (distance) P-C4' energy: -56.843
flat angles C4'-P-C4' energy: -59.426
flat angles P-C4'-P energy: -38.958
tors. eta vs tors. theta energy: -70.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -887.618920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.618920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.618920 (E_RNA)
where:
Base-Base interactions energy: -593.153
where: short stacking energy: -271.328
Base-Backbone interact. energy: 1.069
local terms energy: -295.534359
where:
bonds (distance) C4'-P energy: -56.701
bonds (distance) P-C4' energy: -56.022
flat angles C4'-P-C4' energy: -63.065
flat angles P-C4'-P energy: -43.166
tors. eta vs tors. theta energy: -76.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -871.296736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.296736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.296736 (E_RNA)
where:
Base-Base interactions energy: -576.412
where: short stacking energy: -266.285
Base-Backbone interact. energy: 0.730
local terms energy: -295.614492
where:
bonds (distance) C4'-P energy: -54.728
bonds (distance) P-C4' energy: -63.813
flat angles C4'-P-C4' energy: -58.986
flat angles P-C4'-P energy: -43.964
tors. eta vs tors. theta energy: -74.123
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: 2
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -827.439576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.439576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.439576 (E_RNA)
where:
Base-Base interactions energy: -566.360
where: short stacking energy: -239.071
Base-Backbone interact. energy: -2.638
local terms energy: -258.441766
where:
bonds (distance) C4'-P energy: -49.749
bonds (distance) P-C4' energy: -54.019
flat angles C4'-P-C4' energy: -53.760
flat angles P-C4'-P energy: -36.560
tors. eta vs tors. theta energy: -64.355
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: 4
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -755.006563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.006563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.006563 (E_RNA)
where:
Base-Base interactions energy: -523.467
where: short stacking energy: -216.681
Base-Backbone interact. energy: -0.715
local terms energy: -230.824989
where:
bonds (distance) C4'-P energy: -34.661
bonds (distance) P-C4' energy: -45.058
flat angles C4'-P-C4' energy: -54.574
flat angles P-C4'-P energy: -35.983
tors. eta vs tors. theta energy: -60.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -804.957964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.957964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.957964 (E_RNA)
where:
Base-Base interactions energy: -537.137
where: short stacking energy: -222.368
Base-Backbone interact. energy: 0.716
local terms energy: -268.537583
where:
bonds (distance) C4'-P energy: -53.951
bonds (distance) P-C4' energy: -57.072
flat angles C4'-P-C4' energy: -57.048
flat angles P-C4'-P energy: -38.500
tors. eta vs tors. theta energy: -61.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -732.724635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.724635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.724635 (E_RNA)
where:
Base-Base interactions energy: -524.579
where: short stacking energy: -214.006
Base-Backbone interact. energy: 0.429
local terms energy: -208.574830
where:
bonds (distance) C4'-P energy: -24.108
bonds (distance) P-C4' energy: -37.766
flat angles C4'-P-C4' energy: -50.285
flat angles P-C4'-P energy: -36.500
tors. eta vs tors. theta energy: -59.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -704.465376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.465376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.465376 (E_RNA)
where:
Base-Base interactions energy: -483.220
where: short stacking energy: -192.948
Base-Backbone interact. energy: -0.579
local terms energy: -220.665704
where:
bonds (distance) C4'-P energy: -41.174
bonds (distance) P-C4' energy: -51.904
flat angles C4'-P-C4' energy: -52.366
flat angles P-C4'-P energy: -29.441
tors. eta vs tors. theta energy: -45.782
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: 9, replica: 9
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -643.556818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.556818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.556818 (E_RNA)
where:
Base-Base interactions energy: -427.039
where: short stacking energy: -181.125
Base-Backbone interact. energy: 0.258
local terms energy: -216.775739
where:
bonds (distance) C4'-P energy: -40.479
bonds (distance) P-C4' energy: -47.051
flat angles C4'-P-C4' energy: -52.684
flat angles P-C4'-P energy: -29.420
tors. eta vs tors. theta energy: -47.142
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: 6
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -240.923287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.923287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.923287 (E_RNA)
where:
Base-Base interactions energy: -88.769
where: short stacking energy: -77.146
Base-Backbone interact. energy: 1.305
local terms energy: -153.459236
where:
bonds (distance) C4'-P energy: -43.294
bonds (distance) P-C4' energy: -42.301
flat angles C4'-P-C4' energy: -35.308
flat angles P-C4'-P energy: -28.294
tors. eta vs tors. theta energy: -4.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -905.896615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.896615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.896615 (E_RNA)
where:
Base-Base interactions energy: -639.921
where: short stacking energy: -252.671
Base-Backbone interact. energy: 0.596
local terms energy: -266.571808
where:
bonds (distance) C4'-P energy: -55.105
bonds (distance) P-C4' energy: -48.214
flat angles C4'-P-C4' energy: -64.318
flat angles P-C4'-P energy: -36.487
tors. eta vs tors. theta energy: -62.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -883.163740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.163740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.163740 (E_RNA)
where:
Base-Base interactions energy: -603.644
where: short stacking energy: -269.672
Base-Backbone interact. energy: -0.396
local terms energy: -279.124581
where:
bonds (distance) C4'-P energy: -52.304
bonds (distance) P-C4' energy: -54.055
flat angles C4'-P-C4' energy: -59.603
flat angles P-C4'-P energy: -31.829
tors. eta vs tors. theta energy: -81.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -871.569767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.569767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.569767 (E_RNA)
where:
Base-Base interactions energy: -600.544
where: short stacking energy: -266.522
Base-Backbone interact. energy: -0.636
local terms energy: -270.389119
where:
bonds (distance) C4'-P energy: -45.633
bonds (distance) P-C4' energy: -54.168
flat angles C4'-P-C4' energy: -58.920
flat angles P-C4'-P energy: -40.896
tors. eta vs tors. theta energy: -70.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -838.368316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.368316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.368316 (E_RNA)
where:
Base-Base interactions energy: -586.539
where: short stacking energy: -240.753
Base-Backbone interact. energy: -1.942
local terms energy: -249.887348
where:
bonds (distance) C4'-P energy: -50.360
bonds (distance) P-C4' energy: -54.011
flat angles C4'-P-C4' energy: -54.497
flat angles P-C4'-P energy: -35.093
tors. eta vs tors. theta energy: -55.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -755.707366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.707366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.707366 (E_RNA)
where:
Base-Base interactions energy: -524.720
where: short stacking energy: -206.537
Base-Backbone interact. energy: -0.407
local terms energy: -230.580239
where:
bonds (distance) C4'-P energy: -41.056
bonds (distance) P-C4' energy: -47.824
flat angles C4'-P-C4' energy: -49.067
flat angles P-C4'-P energy: -36.712
tors. eta vs tors. theta energy: -55.921
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: 3
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -776.572061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.572061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.572061 (E_RNA)
where:
Base-Base interactions energy: -537.504
where: short stacking energy: -219.460
Base-Backbone interact. energy: -0.638
local terms energy: -238.430412
where:
bonds (distance) C4'-P energy: -37.333
bonds (distance) P-C4' energy: -46.814
flat angles C4'-P-C4' energy: -50.611
flat angles P-C4'-P energy: -43.751
tors. eta vs tors. theta energy: -59.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -721.746284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.746284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.746284 (E_RNA)
where:
Base-Base interactions energy: -500.562
where: short stacking energy: -208.934
Base-Backbone interact. energy: 0.184
local terms energy: -221.367764
where:
bonds (distance) C4'-P energy: -42.179
bonds (distance) P-C4' energy: -52.064
flat angles C4'-P-C4' energy: -44.657
flat angles P-C4'-P energy: -22.890
tors. eta vs tors. theta energy: -59.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -698.964057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.964057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.964057 (E_RNA)
where:
Base-Base interactions energy: -482.731
where: short stacking energy: -186.737
Base-Backbone interact. energy: -0.760
local terms energy: -215.472475
where:
bonds (distance) C4'-P energy: -43.510
bonds (distance) P-C4' energy: -57.001
flat angles C4'-P-C4' energy: -40.923
flat angles P-C4'-P energy: -28.716
tors. eta vs tors. theta energy: -45.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -662.357832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.357832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.357832 (E_RNA)
where:
Base-Base interactions energy: -458.223
where: short stacking energy: -194.900
Base-Backbone interact. energy: 4.890
local terms energy: -209.024958
where:
bonds (distance) C4'-P energy: -36.520
bonds (distance) P-C4' energy: -46.489
flat angles C4'-P-C4' energy: -48.294
flat angles P-C4'-P energy: -31.532
tors. eta vs tors. theta energy: -46.191
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: 6
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -267.385144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.385144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.385144 (E_RNA)
where:
Base-Base interactions energy: -121.293
where: short stacking energy: -79.190
Base-Backbone interact. energy: 1.531
local terms energy: -147.622661
where:
bonds (distance) C4'-P energy: -39.926
bonds (distance) P-C4' energy: -47.709
flat angles C4'-P-C4' energy: -33.298
flat angles P-C4'-P energy: -21.944
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: 5
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -907.309992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.309992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.309992 (E_RNA)
where:
Base-Base interactions energy: -627.690
where: short stacking energy: -268.395
Base-Backbone interact. energy: -1.097
local terms energy: -278.522439
where:
bonds (distance) C4'-P energy: -59.030
bonds (distance) P-C4' energy: -53.853
flat angles C4'-P-C4' energy: -58.210
flat angles P-C4'-P energy: -38.595
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: 2, replica: 7
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -880.862308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.862308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.862308 (E_RNA)
where:
Base-Base interactions energy: -607.949
where: short stacking energy: -270.674
Base-Backbone interact. energy: 3.514
local terms energy: -276.427486
where:
bonds (distance) C4'-P energy: -50.059
bonds (distance) P-C4' energy: -55.131
flat angles C4'-P-C4' energy: -55.596
flat angles P-C4'-P energy: -41.164
tors. eta vs tors. theta energy: -74.478
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: 10
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -870.339252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.339252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.339252 (E_RNA)
where:
Base-Base interactions energy: -609.555
where: short stacking energy: -243.489
Base-Backbone interact. energy: 0.060
local terms energy: -260.844937
where:
bonds (distance) C4'-P energy: -57.469
bonds (distance) P-C4' energy: -41.820
flat angles C4'-P-C4' energy: -53.283
flat angles P-C4'-P energy: -34.333
tors. eta vs tors. theta energy: -73.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -812.698809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.698809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.698809 (E_RNA)
where:
Base-Base interactions energy: -572.232
where: short stacking energy: -229.971
Base-Backbone interact. energy: -1.756
local terms energy: -238.710582
where:
bonds (distance) C4'-P energy: -46.618
bonds (distance) P-C4' energy: -38.632
flat angles C4'-P-C4' energy: -55.988
flat angles P-C4'-P energy: -36.025
tors. eta vs tors. theta energy: -61.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -822.697595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.697595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.697595 (E_RNA)
where:
Base-Base interactions energy: -556.958
where: short stacking energy: -226.406
Base-Backbone interact. energy: -0.881
local terms energy: -264.858946
where:
bonds (distance) C4'-P energy: -54.254
bonds (distance) P-C4' energy: -43.726
flat angles C4'-P-C4' energy: -58.806
flat angles P-C4'-P energy: -41.272
tors. eta vs tors. theta energy: -66.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -743.146675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.146675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.146675 (E_RNA)
where:
Base-Base interactions energy: -508.815
where: short stacking energy: -209.414
Base-Backbone interact. energy: -0.711
local terms energy: -233.621239
where:
bonds (distance) C4'-P energy: -46.149
bonds (distance) P-C4' energy: -49.866
flat angles C4'-P-C4' energy: -49.809
flat angles P-C4'-P energy: -34.566
tors. eta vs tors. theta energy: -53.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -737.512880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.512880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.512880 (E_RNA)
where:
Base-Base interactions energy: -502.693
where: short stacking energy: -215.593
Base-Backbone interact. energy: -0.307
local terms energy: -234.513418
where:
bonds (distance) C4'-P energy: -34.389
bonds (distance) P-C4' energy: -48.581
flat angles C4'-P-C4' energy: -42.081
flat angles P-C4'-P energy: -36.226
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: 8, replica: 1
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -682.400399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.400399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.400399 (E_RNA)
where:
Base-Base interactions energy: -489.447
where: short stacking energy: -205.265
Base-Backbone interact. energy: 1.438
local terms energy: -194.391081
where:
bonds (distance) C4'-P energy: -31.473
bonds (distance) P-C4' energy: -52.869
flat angles C4'-P-C4' energy: -35.552
flat angles P-C4'-P energy: -27.789
tors. eta vs tors. theta energy: -46.708
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: 50
Temperature: 1.300000
Total energy: -708.149496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.149496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.149496 (E_RNA)
where:
Base-Base interactions energy: -489.310
where: short stacking energy: -208.372
Base-Backbone interact. energy: -0.539
local terms energy: -218.299723
where:
bonds (distance) C4'-P energy: -29.209
bonds (distance) P-C4' energy: -53.455
flat angles C4'-P-C4' energy: -50.158
flat angles P-C4'-P energy: -28.113
tors. eta vs tors. theta energy: -57.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -227.686359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.686359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.686359 (E_RNA)
where:
Base-Base interactions energy: -91.693
where: short stacking energy: -64.681
Base-Backbone interact. energy: 1.863
local terms energy: -137.856268
where:
bonds (distance) C4'-P energy: -36.065
bonds (distance) P-C4' energy: -44.565
flat angles C4'-P-C4' energy: -28.321
flat angles P-C4'-P energy: -35.632
tors. eta vs tors. theta energy: 6.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -895.262397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.262397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.262397 (E_RNA)
where:
Base-Base interactions energy: -628.845
where: short stacking energy: -268.568
Base-Backbone interact. energy: -1.082
local terms energy: -265.334891
where:
bonds (distance) C4'-P energy: -47.894
bonds (distance) P-C4' energy: -52.448
flat angles C4'-P-C4' energy: -58.684
flat angles P-C4'-P energy: -34.214
tors. eta vs tors. theta energy: -72.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -878.032478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.032478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.032478 (E_RNA)
where:
Base-Base interactions energy: -611.357
where: short stacking energy: -246.882
Base-Backbone interact. energy: -1.184
local terms energy: -265.491206
where:
bonds (distance) C4'-P energy: -50.206
bonds (distance) P-C4' energy: -58.236
flat angles C4'-P-C4' energy: -56.328
flat angles P-C4'-P energy: -34.848
tors. eta vs tors. theta energy: -65.873
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: 3, replica: 10
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -872.656623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.656623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.656623 (E_RNA)
where:
Base-Base interactions energy: -606.250
where: short stacking energy: -257.619
Base-Backbone interact. energy: -0.548
local terms energy: -265.857760
where:
bonds (distance) C4'-P energy: -50.302
bonds (distance) P-C4' energy: -44.906
flat angles C4'-P-C4' energy: -54.265
flat angles P-C4'-P energy: -36.266
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: 4, replica: 3
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -846.044249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.044249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.044249 (E_RNA)
where:
Base-Base interactions energy: -586.315
where: short stacking energy: -249.880
Base-Backbone interact. energy: -0.780
local terms energy: -258.949305
where:
bonds (distance) C4'-P energy: -49.022
bonds (distance) P-C4' energy: -49.883
flat angles C4'-P-C4' energy: -54.906
flat angles P-C4'-P energy: -37.468
tors. eta vs tors. theta energy: -67.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -826.539127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.539127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.539127 (E_RNA)
where:
Base-Base interactions energy: -582.545
where: short stacking energy: -236.335
Base-Backbone interact. energy: 3.050
local terms energy: -247.044405
where:
bonds (distance) C4'-P energy: -48.587
bonds (distance) P-C4' energy: -48.934
flat angles C4'-P-C4' energy: -53.875
flat angles P-C4'-P energy: -32.642
tors. eta vs tors. theta energy: -63.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -743.155239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.155239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.155239 (E_RNA)
where:
Base-Base interactions energy: -503.831
where: short stacking energy: -213.171
Base-Backbone interact. energy: -0.626
local terms energy: -238.698360
where:
bonds (distance) C4'-P energy: -39.619
bonds (distance) P-C4' energy: -51.622
flat angles C4'-P-C4' energy: -56.660
flat angles P-C4'-P energy: -34.898
tors. eta vs tors. theta energy: -55.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -728.312532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.312532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.312532 (E_RNA)
where:
Base-Base interactions energy: -503.938
where: short stacking energy: -214.391
Base-Backbone interact. energy: 0.990
local terms energy: -225.364704
where:
bonds (distance) C4'-P energy: -47.532
bonds (distance) P-C4' energy: -46.043
flat angles C4'-P-C4' energy: -48.471
flat angles P-C4'-P energy: -23.250
tors. eta vs tors. theta energy: -60.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -744.018311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.018311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.018311 (E_RNA)
where:
Base-Base interactions energy: -517.045
where: short stacking energy: -208.503
Base-Backbone interact. energy: -0.519
local terms energy: -226.454144
where:
bonds (distance) C4'-P energy: -44.378
bonds (distance) P-C4' energy: -46.692
flat angles C4'-P-C4' energy: -55.114
flat angles P-C4'-P energy: -28.129
tors. eta vs tors. theta energy: -52.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -707.594856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.594856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.594856 (E_RNA)
where:
Base-Base interactions energy: -511.324
where: short stacking energy: -217.369
Base-Backbone interact. energy: -1.049
local terms energy: -195.221834
where:
bonds (distance) C4'-P energy: -40.445
bonds (distance) P-C4' energy: -42.642
flat angles C4'-P-C4' energy: -41.149
flat angles P-C4'-P energy: -18.396
tors. eta vs tors. theta energy: -52.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -237.877102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.877102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.877102 (E_RNA)
where:
Base-Base interactions energy: -86.263
where: short stacking energy: -73.802
Base-Backbone interact. energy: 2.864
local terms energy: -154.477744
where:
bonds (distance) C4'-P energy: -39.825
bonds (distance) P-C4' energy: -44.218
flat angles C4'-P-C4' energy: -38.891
flat angles P-C4'-P energy: -28.367
tors. eta vs tors. theta energy: -3.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -901.399729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.399729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.399729 (E_RNA)
where:
Base-Base interactions energy: -610.315
where: short stacking energy: -266.154
Base-Backbone interact. energy: -1.319
local terms energy: -289.766571
where:
bonds (distance) C4'-P energy: -55.509
bonds (distance) P-C4' energy: -48.798
flat angles C4'-P-C4' energy: -64.551
flat angles P-C4'-P energy: -43.908
tors. eta vs tors. theta energy: -77.001
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: 52
Temperature: 0.950000
Total energy: -891.686926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.686926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.686926 (E_RNA)
where:
Base-Base interactions energy: -619.847
where: short stacking energy: -257.392
Base-Backbone interact. energy: -1.279
local terms energy: -270.561336
where:
bonds (distance) C4'-P energy: -47.127
bonds (distance) P-C4' energy: -54.450
flat angles C4'-P-C4' energy: -53.089
flat angles P-C4'-P energy: -45.264
tors. eta vs tors. theta energy: -70.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -851.768646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.768646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.768646 (E_RNA)
where:
Base-Base interactions energy: -601.713
where: short stacking energy: -248.836
Base-Backbone interact. energy: 0.715
local terms energy: -250.770258
where:
bonds (distance) C4'-P energy: -48.745
bonds (distance) P-C4' energy: -56.150
flat angles C4'-P-C4' energy: -44.373
flat angles P-C4'-P energy: -39.302
tors. eta vs tors. theta energy: -62.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -866.246437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.246437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.246437 (E_RNA)
where:
Base-Base interactions energy: -602.377
where: short stacking energy: -278.368
Base-Backbone interact. energy: -0.505
local terms energy: -263.364390
where:
bonds (distance) C4'-P energy: -53.873
bonds (distance) P-C4' energy: -47.164
flat angles C4'-P-C4' energy: -52.415
flat angles P-C4'-P energy: -31.863
tors. eta vs tors. theta energy: -78.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -818.527841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.527841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.527841 (E_RNA)
where:
Base-Base interactions energy: -579.170
where: short stacking energy: -230.204
Base-Backbone interact. energy: 1.041
local terms energy: -240.398934
where:
bonds (distance) C4'-P energy: -43.543
bonds (distance) P-C4' energy: -45.929
flat angles C4'-P-C4' energy: -51.520
flat angles P-C4'-P energy: -42.228
tors. eta vs tors. theta energy: -57.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -811.048519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.048519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.048519 (E_RNA)
where:
Base-Base interactions energy: -549.414
where: short stacking energy: -228.113
Base-Backbone interact. energy: -0.533
local terms energy: -261.101800
where:
bonds (distance) C4'-P energy: -53.744
bonds (distance) P-C4' energy: -50.678
flat angles C4'-P-C4' energy: -51.473
flat angles P-C4'-P energy: -31.509
tors. eta vs tors. theta energy: -73.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -735.128011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.128011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.128011 (E_RNA)
where:
Base-Base interactions energy: -505.270
where: short stacking energy: -208.983
Base-Backbone interact. energy: -2.432
local terms energy: -227.425998
where:
bonds (distance) C4'-P energy: -38.746
bonds (distance) P-C4' energy: -47.300
flat angles C4'-P-C4' energy: -55.498
flat angles P-C4'-P energy: -29.850
tors. eta vs tors. theta energy: -56.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -711.560878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.560878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.560878 (E_RNA)
where:
Base-Base interactions energy: -488.317
where: short stacking energy: -183.653
Base-Backbone interact. energy: 0.670
local terms energy: -223.914090
where:
bonds (distance) C4'-P energy: -45.555
bonds (distance) P-C4' energy: -42.610
flat angles C4'-P-C4' energy: -54.518
flat angles P-C4'-P energy: -37.333
tors. eta vs tors. theta energy: -43.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -688.054918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.054918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.054918 (E_RNA)
where:
Base-Base interactions energy: -467.375
where: short stacking energy: -189.932
Base-Backbone interact. energy: -1.443
local terms energy: -219.237662
where:
bonds (distance) C4'-P energy: -42.305
bonds (distance) P-C4' energy: -52.548
flat angles C4'-P-C4' energy: -49.436
flat angles P-C4'-P energy: -27.489
tors. eta vs tors. theta energy: -47.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -238.336134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.336134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.336134 (E_RNA)
where:
Base-Base interactions energy: -77.816
where: short stacking energy: -74.127
Base-Backbone interact. energy: -0.823
local terms energy: -159.697201
where:
bonds (distance) C4'-P energy: -46.656
bonds (distance) P-C4' energy: -50.344
flat angles C4'-P-C4' energy: -40.529
flat angles P-C4'-P energy: -23.339
tors. eta vs tors. theta energy: 1.171
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: 7
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -890.882476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.882476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.882476 (E_RNA)
where:
Base-Base interactions energy: -613.956
where: short stacking energy: -262.254
Base-Backbone interact. energy: 0.054
local terms energy: -276.979969
where:
bonds (distance) C4'-P energy: -58.533
bonds (distance) P-C4' energy: -48.789
flat angles C4'-P-C4' energy: -55.305
flat angles P-C4'-P energy: -38.847
tors. eta vs tors. theta energy: -75.506
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: 5
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -877.237543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.237543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.237543 (E_RNA)
where:
Base-Base interactions energy: -611.830
where: short stacking energy: -258.070
Base-Backbone interact. energy: -0.120
local terms energy: -265.287462
where:
bonds (distance) C4'-P energy: -47.503
bonds (distance) P-C4' energy: -52.263
flat angles C4'-P-C4' energy: -56.895
flat angles P-C4'-P energy: -36.400
tors. eta vs tors. theta energy: -72.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -878.944700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.944700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.944700 (E_RNA)
where:
Base-Base interactions energy: -593.353
where: short stacking energy: -258.759
Base-Backbone interact. energy: -0.464
local terms energy: -285.127396
where:
bonds (distance) C4'-P energy: -54.796
bonds (distance) P-C4' energy: -54.266
flat angles C4'-P-C4' energy: -61.422
flat angles P-C4'-P energy: -38.655
tors. eta vs tors. theta energy: -75.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -844.346769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.346769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.346769 (E_RNA)
where:
Base-Base interactions energy: -593.476
where: short stacking energy: -237.156
Base-Backbone interact. energy: -0.711
local terms energy: -250.159443
where:
bonds (distance) C4'-P energy: -42.672
bonds (distance) P-C4' energy: -54.213
flat angles C4'-P-C4' energy: -56.806
flat angles P-C4'-P energy: -35.536
tors. eta vs tors. theta energy: -60.932
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: 10
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -811.207644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.207644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.207644 (E_RNA)
where:
Base-Base interactions energy: -556.796
where: short stacking energy: -241.335
Base-Backbone interact. energy: -0.311
local terms energy: -254.100654
where:
bonds (distance) C4'-P energy: -39.860
bonds (distance) P-C4' energy: -53.727
flat angles C4'-P-C4' energy: -57.077
flat angles P-C4'-P energy: -32.509
tors. eta vs tors. theta energy: -70.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -792.304810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.304810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.304810 (E_RNA)
where:
Base-Base interactions energy: -563.475
where: short stacking energy: -228.697
Base-Backbone interact. energy: -0.014
local terms energy: -228.816162
where:
bonds (distance) C4'-P energy: -37.346
bonds (distance) P-C4' energy: -44.355
flat angles C4'-P-C4' energy: -46.285
flat angles P-C4'-P energy: -34.931
tors. eta vs tors. theta energy: -65.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -682.479656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.479656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.479656 (E_RNA)
where:
Base-Base interactions energy: -461.828
where: short stacking energy: -194.836
Base-Backbone interact. energy: -0.503
local terms energy: -220.148978
where:
bonds (distance) C4'-P energy: -42.336
bonds (distance) P-C4' energy: -42.835
flat angles C4'-P-C4' energy: -48.888
flat angles P-C4'-P energy: -35.932
tors. eta vs tors. theta energy: -50.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -708.158473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.158473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.158473 (E_RNA)
where:
Base-Base interactions energy: -476.952
where: short stacking energy: -195.082
Base-Backbone interact. energy: -0.569
local terms energy: -230.637850
where:
bonds (distance) C4'-P energy: -35.603
bonds (distance) P-C4' energy: -51.819
flat angles C4'-P-C4' energy: -46.552
flat angles P-C4'-P energy: -37.492
tors. eta vs tors. theta energy: -59.172
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: 4
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -681.543719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.543719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.543719 (E_RNA)
where:
Base-Base interactions energy: -458.921
where: short stacking energy: -186.420
Base-Backbone interact. energy: -1.628
local terms energy: -220.994064
where:
bonds (distance) C4'-P energy: -44.595
bonds (distance) P-C4' energy: -49.050
flat angles C4'-P-C4' energy: -46.506
flat angles P-C4'-P energy: -36.008
tors. eta vs tors. theta energy: -44.836
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: 6
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -224.142199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.142199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.142199 (E_RNA)
where:
Base-Base interactions energy: -80.784
where: short stacking energy: -68.640
Base-Backbone interact. energy: -0.713
local terms energy: -142.645852
where:
bonds (distance) C4'-P energy: -43.768
bonds (distance) P-C4' energy: -34.610
flat angles C4'-P-C4' energy: -35.722
flat angles P-C4'-P energy: -31.086
tors. eta vs tors. theta energy: 2.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -917.747389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.747389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.747389 (E_RNA)
where:
Base-Base interactions energy: -630.060
where: short stacking energy: -276.349
Base-Backbone interact. energy: -0.407
local terms energy: -287.280667
where:
bonds (distance) C4'-P energy: -52.126
bonds (distance) P-C4' energy: -54.373
flat angles C4'-P-C4' energy: -64.192
flat angles P-C4'-P energy: -41.230
tors. eta vs tors. theta energy: -75.358
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: 54
Temperature: 0.950000
Total energy: -887.732764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.732764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.732764 (E_RNA)
where:
Base-Base interactions energy: -611.982
where: short stacking energy: -259.580
Base-Backbone interact. energy: 0.164
local terms energy: -275.915044
where:
bonds (distance) C4'-P energy: -55.672
bonds (distance) P-C4' energy: -49.421
flat angles C4'-P-C4' energy: -55.577
flat angles P-C4'-P energy: -39.664
tors. eta vs tors. theta energy: -75.581
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: 3, replica: 2
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -868.726243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.726243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.726243 (E_RNA)
where:
Base-Base interactions energy: -596.874
where: short stacking energy: -252.303
Base-Backbone interact. energy: -0.436
local terms energy: -271.416066
where:
bonds (distance) C4'-P energy: -45.906
bonds (distance) P-C4' energy: -52.941
flat angles C4'-P-C4' energy: -62.797
flat angles P-C4'-P energy: -38.324
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: 4, replica: 3
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -829.046979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.046979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.046979 (E_RNA)
where:
Base-Base interactions energy: -563.040
where: short stacking energy: -229.337
Base-Backbone interact. energy: 0.001
local terms energy: -266.008855
where:
bonds (distance) C4'-P energy: -54.801
bonds (distance) P-C4' energy: -56.341
flat angles C4'-P-C4' energy: -56.897
flat angles P-C4'-P energy: -31.645
tors. eta vs tors. theta energy: -66.324
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: 5, replica: 8
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -811.375767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.375767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.375767 (E_RNA)
where:
Base-Base interactions energy: -556.466
where: short stacking energy: -218.965
Base-Backbone interact. energy: -0.577
local terms energy: -254.332805
where:
bonds (distance) C4'-P energy: -49.373
bonds (distance) P-C4' energy: -47.852
flat angles C4'-P-C4' energy: -47.013
flat angles P-C4'-P energy: -43.344
tors. eta vs tors. theta energy: -66.750
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: 10
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -785.287287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.287287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.287287 (E_RNA)
where:
Base-Base interactions energy: -546.391
where: short stacking energy: -237.002
Base-Backbone interact. energy: -0.800
local terms energy: -238.096127
where:
bonds (distance) C4'-P energy: -44.051
bonds (distance) P-C4' energy: -45.582
flat angles C4'-P-C4' energy: -48.739
flat angles P-C4'-P energy: -30.311
tors. eta vs tors. theta energy: -69.413
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: 7, replica: 1
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -744.884193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.884193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.884193 (E_RNA)
where:
Base-Base interactions energy: -524.578
where: short stacking energy: -214.131
Base-Backbone interact. energy: 1.044
local terms energy: -221.350363
where:
bonds (distance) C4'-P energy: -37.677
bonds (distance) P-C4' energy: -38.551
flat angles C4'-P-C4' energy: -46.709
flat angles P-C4'-P energy: -37.004
tors. eta vs tors. theta energy: -61.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -710.502703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.502703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.502703 (E_RNA)
where:
Base-Base interactions energy: -490.883
where: short stacking energy: -202.916
Base-Backbone interact. energy: 1.066
local terms energy: -220.685184
where:
bonds (distance) C4'-P energy: -42.792
bonds (distance) P-C4' energy: -47.524
flat angles C4'-P-C4' energy: -48.883
flat angles P-C4'-P energy: -32.272
tors. eta vs tors. theta energy: -49.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -668.661060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.661060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.661060 (E_RNA)
where:
Base-Base interactions energy: -458.554
where: short stacking energy: -179.642
Base-Backbone interact. energy: -0.794
local terms energy: -209.312680
where:
bonds (distance) C4'-P energy: -47.880
bonds (distance) P-C4' energy: -42.724
flat angles C4'-P-C4' energy: -48.012
flat angles P-C4'-P energy: -30.263
tors. eta vs tors. theta energy: -40.434
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: 6
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -221.433790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.433790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.433790 (E_RNA)
where:
Base-Base interactions energy: -85.919
where: short stacking energy: -69.598
Base-Backbone interact. energy: 0.007
local terms energy: -135.522204
where:
bonds (distance) C4'-P energy: -45.416
bonds (distance) P-C4' energy: -34.398
flat angles C4'-P-C4' energy: -43.642
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: -2.083
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: 7
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -905.723312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.723312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.723312 (E_RNA)
where:
Base-Base interactions energy: -631.758
where: short stacking energy: -283.490
Base-Backbone interact. energy: -0.784
local terms energy: -273.181143
where:
bonds (distance) C4'-P energy: -50.279
bonds (distance) P-C4' energy: -46.390
flat angles C4'-P-C4' energy: -62.410
flat angles P-C4'-P energy: -42.000
tors. eta vs tors. theta energy: -72.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -886.357679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.357679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.357679 (E_RNA)
where:
Base-Base interactions energy: -612.739
where: short stacking energy: -273.902
Base-Backbone interact. energy: -0.305
local terms energy: -273.313813
where:
bonds (distance) C4'-P energy: -50.241
bonds (distance) P-C4' energy: -47.953
flat angles C4'-P-C4' energy: -57.708
flat angles P-C4'-P energy: -46.338
tors. eta vs tors. theta energy: -71.073
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: 55
Temperature: 1.000000
Total energy: -857.357538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.357538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.357538 (E_RNA)
where:
Base-Base interactions energy: -598.920
where: short stacking energy: -255.255
Base-Backbone interact. energy: -0.809
local terms energy: -257.628930
where:
bonds (distance) C4'-P energy: -34.831
bonds (distance) P-C4' energy: -52.223
flat angles C4'-P-C4' energy: -60.227
flat angles P-C4'-P energy: -38.057
tors. eta vs tors. theta energy: -72.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -839.696992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.696992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.696992 (E_RNA)
where:
Base-Base interactions energy: -573.041
where: short stacking energy: -232.299
Base-Backbone interact. energy: -0.731
local terms energy: -265.924717
where:
bonds (distance) C4'-P energy: -51.225
bonds (distance) P-C4' energy: -50.763
flat angles C4'-P-C4' energy: -58.187
flat angles P-C4'-P energy: -40.189
tors. eta vs tors. theta energy: -65.560
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: 5, replica: 8
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -825.762967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.762967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.762967 (E_RNA)
where:
Base-Base interactions energy: -576.066
where: short stacking energy: -248.924
Base-Backbone interact. energy: -1.291
local terms energy: -248.405875
where:
bonds (distance) C4'-P energy: -36.480
bonds (distance) P-C4' energy: -45.166
flat angles C4'-P-C4' energy: -57.953
flat angles P-C4'-P energy: -30.323
tors. eta vs tors. theta energy: -78.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -804.918559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.918559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.918559 (E_RNA)
where:
Base-Base interactions energy: -548.483
where: short stacking energy: -225.190
Base-Backbone interact. energy: -0.996
local terms energy: -255.439991
where:
bonds (distance) C4'-P energy: -47.528
bonds (distance) P-C4' energy: -47.008
flat angles C4'-P-C4' energy: -54.770
flat angles P-C4'-P energy: -40.116
tors. eta vs tors. theta energy: -66.018
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: 1
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -755.027701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.027701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.027701 (E_RNA)
where:
Base-Base interactions energy: -527.960
where: short stacking energy: -216.690
Base-Backbone interact. energy: 0.131
local terms energy: -227.199010
where:
bonds (distance) C4'-P energy: -45.928
bonds (distance) P-C4' energy: -41.994
flat angles C4'-P-C4' energy: -56.877
flat angles P-C4'-P energy: -24.536
tors. eta vs tors. theta energy: -57.864
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: 9
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -702.861175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.861175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.861175 (E_RNA)
where:
Base-Base interactions energy: -472.126
where: short stacking energy: -191.158
Base-Backbone interact. energy: -0.987
local terms energy: -229.747401
where:
bonds (distance) C4'-P energy: -47.408
bonds (distance) P-C4' energy: -56.626
flat angles C4'-P-C4' energy: -42.489
flat angles P-C4'-P energy: -26.819
tors. eta vs tors. theta energy: -56.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -676.598104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.598104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.598104 (E_RNA)
where:
Base-Base interactions energy: -472.607
where: short stacking energy: -191.544
Base-Backbone interact. energy: -0.674
local terms energy: -203.317745
where:
bonds (distance) C4'-P energy: -43.120
bonds (distance) P-C4' energy: -30.744
flat angles C4'-P-C4' energy: -52.263
flat angles P-C4'-P energy: -27.629
tors. eta vs tors. theta energy: -49.562
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: 6
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -249.390159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.390159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.390159 (E_RNA)
where:
Base-Base interactions energy: -106.747
where: short stacking energy: -62.927
Base-Backbone interact. energy: 0.301
local terms energy: -142.945092
where:
bonds (distance) C4'-P energy: -37.246
bonds (distance) P-C4' energy: -52.432
flat angles C4'-P-C4' energy: -33.776
flat angles P-C4'-P energy: -26.719
tors. eta vs tors. theta energy: 7.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -901.679182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.679182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.679182 (E_RNA)
where:
Base-Base interactions energy: -633.007
where: short stacking energy: -264.606
Base-Backbone interact. energy: -0.864
local terms energy: -267.807931
where:
bonds (distance) C4'-P energy: -45.427
bonds (distance) P-C4' energy: -52.002
flat angles C4'-P-C4' energy: -65.514
flat angles P-C4'-P energy: -35.738
tors. eta vs tors. theta energy: -69.127
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: 56
Temperature: 0.950000
Total energy: -890.445753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.445753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.445753 (E_RNA)
where:
Base-Base interactions energy: -606.968
where: short stacking energy: -264.410
Base-Backbone interact. energy: -0.191
local terms energy: -283.286024
where:
bonds (distance) C4'-P energy: -45.562
bonds (distance) P-C4' energy: -55.430
flat angles C4'-P-C4' energy: -61.866
flat angles P-C4'-P energy: -46.150
tors. eta vs tors. theta energy: -74.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -862.290780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.290780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.290780 (E_RNA)
where:
Base-Base interactions energy: -600.880
where: short stacking energy: -256.018
Base-Backbone interact. energy: 0.523
local terms energy: -261.933481
where:
bonds (distance) C4'-P energy: -45.305
bonds (distance) P-C4' energy: -51.862
flat angles C4'-P-C4' energy: -59.589
flat angles P-C4'-P energy: -35.259
tors. eta vs tors. theta energy: -69.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -850.462776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.462776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.462776 (E_RNA)
where:
Base-Base interactions energy: -602.731
where: short stacking energy: -250.576
Base-Backbone interact. energy: -0.233
local terms energy: -247.498583
where:
bonds (distance) C4'-P energy: -46.533
bonds (distance) P-C4' energy: -42.045
flat angles C4'-P-C4' energy: -50.248
flat angles P-C4'-P energy: -44.912
tors. eta vs tors. theta energy: -63.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -806.185847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.185847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.185847 (E_RNA)
where:
Base-Base interactions energy: -559.611
where: short stacking energy: -237.585
Base-Backbone interact. energy: -1.378
local terms energy: -245.196924
where:
bonds (distance) C4'-P energy: -35.491
bonds (distance) P-C4' energy: -47.248
flat angles C4'-P-C4' energy: -51.155
flat angles P-C4'-P energy: -44.246
tors. eta vs tors. theta energy: -67.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -802.864476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.864476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.864476 (E_RNA)
where:
Base-Base interactions energy: -553.631
where: short stacking energy: -237.618
Base-Backbone interact. energy: 0.586
local terms energy: -249.818841
where:
bonds (distance) C4'-P energy: -45.099
bonds (distance) P-C4' energy: -45.995
flat angles C4'-P-C4' energy: -50.737
flat angles P-C4'-P energy: -33.389
tors. eta vs tors. theta energy: -74.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -724.105336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.105336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.105336 (E_RNA)
where:
Base-Base interactions energy: -495.293
where: short stacking energy: -190.552
Base-Backbone interact. energy: 4.428
local terms energy: -233.240632
where:
bonds (distance) C4'-P energy: -48.701
bonds (distance) P-C4' energy: -46.029
flat angles C4'-P-C4' energy: -50.921
flat angles P-C4'-P energy: -40.095
tors. eta vs tors. theta energy: -47.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -715.609370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.609370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.609370 (E_RNA)
where:
Base-Base interactions energy: -506.199
where: short stacking energy: -206.442
Base-Backbone interact. energy: 3.092
local terms energy: -212.502903
where:
bonds (distance) C4'-P energy: -38.600
bonds (distance) P-C4' energy: -40.350
flat angles C4'-P-C4' energy: -46.861
flat angles P-C4'-P energy: -36.770
tors. eta vs tors. theta energy: -49.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -616.665356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.665356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.665356 (E_RNA)
where:
Base-Base interactions energy: -412.359
where: short stacking energy: -170.064
Base-Backbone interact. energy: -0.218
local terms energy: -204.087958
where:
bonds (distance) C4'-P energy: -50.143
bonds (distance) P-C4' energy: -28.589
flat angles C4'-P-C4' energy: -46.841
flat angles P-C4'-P energy: -26.681
tors. eta vs tors. theta energy: -51.834
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: 6
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -221.923119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.923119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.923119 (E_RNA)
where:
Base-Base interactions energy: -85.213
where: short stacking energy: -66.658
Base-Backbone interact. energy: 0.580
local terms energy: -137.290358
where:
bonds (distance) C4'-P energy: -38.286
bonds (distance) P-C4' energy: -39.656
flat angles C4'-P-C4' energy: -41.937
flat angles P-C4'-P energy: -11.872
tors. eta vs tors. theta energy: -5.539
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: 7
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -917.333253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.333253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.333253 (E_RNA)
where:
Base-Base interactions energy: -634.819
where: short stacking energy: -270.589
Base-Backbone interact. energy: -0.795
local terms energy: -281.718532
where:
bonds (distance) C4'-P energy: -52.885
bonds (distance) P-C4' energy: -60.775
flat angles C4'-P-C4' energy: -55.103
flat angles P-C4'-P energy: -43.918
tors. eta vs tors. theta energy: -69.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -884.370354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.370354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.370354 (E_RNA)
where:
Base-Base interactions energy: -601.640
where: short stacking energy: -271.237
Base-Backbone interact. energy: -0.936
local terms energy: -281.794601
where:
bonds (distance) C4'-P energy: -52.567
bonds (distance) P-C4' energy: -54.149
flat angles C4'-P-C4' energy: -57.307
flat angles P-C4'-P energy: -38.676
tors. eta vs tors. theta energy: -79.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -882.386151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.386151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.386151 (E_RNA)
where:
Base-Base interactions energy: -600.476
where: short stacking energy: -251.411
Base-Backbone interact. energy: -0.878
local terms energy: -281.032329
where:
bonds (distance) C4'-P energy: -48.905
bonds (distance) P-C4' energy: -58.827
flat angles C4'-P-C4' energy: -59.623
flat angles P-C4'-P energy: -44.097
tors. eta vs tors. theta energy: -69.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -817.778223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.778223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.778223 (E_RNA)
where:
Base-Base interactions energy: -546.887
where: short stacking energy: -229.937
Base-Backbone interact. energy: -2.137
local terms energy: -268.754251
where:
bonds (distance) C4'-P energy: -38.544
bonds (distance) P-C4' energy: -59.212
flat angles C4'-P-C4' energy: -59.780
flat angles P-C4'-P energy: -40.219
tors. eta vs tors. theta energy: -70.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -810.428705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.428705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.428705 (E_RNA)
where:
Base-Base interactions energy: -559.171
where: short stacking energy: -231.262
Base-Backbone interact. energy: -0.732
local terms energy: -250.525772
where:
bonds (distance) C4'-P energy: -45.486
bonds (distance) P-C4' energy: -48.052
flat angles C4'-P-C4' energy: -51.595
flat angles P-C4'-P energy: -41.632
tors. eta vs tors. theta energy: -63.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -785.971864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.971864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.971864 (E_RNA)
where:
Base-Base interactions energy: -541.392
where: short stacking energy: -219.306
Base-Backbone interact. energy: -1.757
local terms energy: -242.822597
where:
bonds (distance) C4'-P energy: -52.607
bonds (distance) P-C4' energy: -43.476
flat angles C4'-P-C4' energy: -52.227
flat angles P-C4'-P energy: -26.669
tors. eta vs tors. theta energy: -67.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -779.883533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.883533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.883533 (E_RNA)
where:
Base-Base interactions energy: -540.449
where: short stacking energy: -223.716
Base-Backbone interact. energy: -0.575
local terms energy: -238.859741
where:
bonds (distance) C4'-P energy: -37.922
bonds (distance) P-C4' energy: -48.427
flat angles C4'-P-C4' energy: -56.111
flat angles P-C4'-P energy: -33.655
tors. eta vs tors. theta energy: -62.745
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: 1
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -731.530666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.530666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.530666 (E_RNA)
where:
Base-Base interactions energy: -510.401
where: short stacking energy: -194.388
Base-Backbone interact. energy: -1.121
local terms energy: -220.009173
where:
bonds (distance) C4'-P energy: -43.807
bonds (distance) P-C4' energy: -38.670
flat angles C4'-P-C4' energy: -47.389
flat angles P-C4'-P energy: -38.454
tors. eta vs tors. theta energy: -51.689
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: 9, replica: 4
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -600.159843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.159843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.159843 (E_RNA)
where:
Base-Base interactions energy: -388.339
where: short stacking energy: -173.958
Base-Backbone interact. energy: -0.715
local terms energy: -211.105816
where:
bonds (distance) C4'-P energy: -43.097
bonds (distance) P-C4' energy: -46.262
flat angles C4'-P-C4' energy: -49.244
flat angles P-C4'-P energy: -26.645
tors. eta vs tors. theta energy: -45.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -220.907488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.907488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.907488 (E_RNA)
where:
Base-Base interactions energy: -93.879
where: short stacking energy: -62.566
Base-Backbone interact. energy: -1.266
local terms energy: -125.762856
where:
bonds (distance) C4'-P energy: -39.609
bonds (distance) P-C4' energy: -33.002
flat angles C4'-P-C4' energy: -37.409
flat angles P-C4'-P energy: -22.813
tors. eta vs tors. theta energy: 7.070
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: 7
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -911.668053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.668053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.668053 (E_RNA)
where:
Base-Base interactions energy: -625.045
where: short stacking energy: -274.147
Base-Backbone interact. energy: -1.694
local terms energy: -284.928800
where:
bonds (distance) C4'-P energy: -49.017
bonds (distance) P-C4' energy: -57.764
flat angles C4'-P-C4' energy: -60.106
flat angles P-C4'-P energy: -41.864
tors. eta vs tors. theta energy: -76.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -878.554795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.554795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.554795 (E_RNA)
where:
Base-Base interactions energy: -593.114
where: short stacking energy: -273.769
Base-Backbone interact. energy: -0.119
local terms energy: -285.322087
where:
bonds (distance) C4'-P energy: -54.683
bonds (distance) P-C4' energy: -52.021
flat angles C4'-P-C4' energy: -61.920
flat angles P-C4'-P energy: -40.225
tors. eta vs tors. theta energy: -76.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -870.488170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.488170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.488170 (E_RNA)
where:
Base-Base interactions energy: -593.024
where: short stacking energy: -257.959
Base-Backbone interact. energy: 0.912
local terms energy: -278.375590
where:
bonds (distance) C4'-P energy: -53.841
bonds (distance) P-C4' energy: -52.208
flat angles C4'-P-C4' energy: -53.831
flat angles P-C4'-P energy: -38.582
tors. eta vs tors. theta energy: -79.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -835.612375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.612375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.612375 (E_RNA)
where:
Base-Base interactions energy: -565.650
where: short stacking energy: -228.353
Base-Backbone interact. energy: 0.365
local terms energy: -270.327126
where:
bonds (distance) C4'-P energy: -56.066
bonds (distance) P-C4' energy: -51.592
flat angles C4'-P-C4' energy: -55.229
flat angles P-C4'-P energy: -42.661
tors. eta vs tors. theta energy: -64.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -795.862560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.862560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.862560 (E_RNA)
where:
Base-Base interactions energy: -548.876
where: short stacking energy: -232.390
Base-Backbone interact. energy: 2.005
local terms energy: -248.991261
where:
bonds (distance) C4'-P energy: -51.106
bonds (distance) P-C4' energy: -47.589
flat angles C4'-P-C4' energy: -51.590
flat angles P-C4'-P energy: -35.256
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: 6, replica: 10
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -796.194128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.194128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.194128 (E_RNA)
where:
Base-Base interactions energy: -550.519
where: short stacking energy: -233.840
Base-Backbone interact. energy: -0.450
local terms energy: -245.224672
where:
bonds (distance) C4'-P energy: -55.461
bonds (distance) P-C4' energy: -37.684
flat angles C4'-P-C4' energy: -57.579
flat angles P-C4'-P energy: -28.767
tors. eta vs tors. theta energy: -65.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -765.846012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.846012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.846012 (E_RNA)
where:
Base-Base interactions energy: -538.772
where: short stacking energy: -219.196
Base-Backbone interact. energy: 0.001
local terms energy: -227.074275
where:
bonds (distance) C4'-P energy: -43.751
bonds (distance) P-C4' energy: -36.114
flat angles C4'-P-C4' energy: -45.520
flat angles P-C4'-P energy: -37.787
tors. eta vs tors. theta energy: -63.902
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: 1
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -732.301798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.301798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.301798 (E_RNA)
where:
Base-Base interactions energy: -511.678
where: short stacking energy: -197.508
Base-Backbone interact. energy: -0.876
local terms energy: -219.747956
where:
bonds (distance) C4'-P energy: -47.871
bonds (distance) P-C4' energy: -35.464
flat angles C4'-P-C4' energy: -52.372
flat angles P-C4'-P energy: -33.348
tors. eta vs tors. theta energy: -50.693
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: 9, replica: 4
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -652.433618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.433618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.433618 (E_RNA)
where:
Base-Base interactions energy: -441.600
where: short stacking energy: -191.674
Base-Backbone interact. energy: -1.626
local terms energy: -209.207401
where:
bonds (distance) C4'-P energy: -32.441
bonds (distance) P-C4' energy: -43.657
flat angles C4'-P-C4' energy: -42.257
flat angles P-C4'-P energy: -31.233
tors. eta vs tors. theta energy: -59.618
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: 6
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -249.889848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.889848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.889848 (E_RNA)
where:
Base-Base interactions energy: -80.766
where: short stacking energy: -66.001
Base-Backbone interact. energy: -0.457
local terms energy: -168.667492
where:
bonds (distance) C4'-P energy: -38.834
bonds (distance) P-C4' energy: -54.671
flat angles C4'-P-C4' energy: -39.254
flat angles P-C4'-P energy: -26.448
tors. eta vs tors. theta energy: -9.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -910.915620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.915620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.915620 (E_RNA)
where:
Base-Base interactions energy: -635.923
where: short stacking energy: -271.134
Base-Backbone interact. energy: -0.597
local terms energy: -274.396258
where:
bonds (distance) C4'-P energy: -46.078
bonds (distance) P-C4' energy: -45.459
flat angles C4'-P-C4' energy: -62.726
flat angles P-C4'-P energy: -44.969
tors. eta vs tors. theta energy: -75.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -881.348588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.348588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.348588 (E_RNA)
where:
Base-Base interactions energy: -597.037
where: short stacking energy: -258.837
Base-Backbone interact. energy: 0.309
local terms energy: -284.621255
where:
bonds (distance) C4'-P energy: -49.607
bonds (distance) P-C4' energy: -57.113
flat angles C4'-P-C4' energy: -60.042
flat angles P-C4'-P energy: -46.052
tors. eta vs tors. theta energy: -71.808
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: 5
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -854.197248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.197248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.197248 (E_RNA)
where:
Base-Base interactions energy: -583.332
where: short stacking energy: -248.302
Base-Backbone interact. energy: -0.352
local terms energy: -270.513698
where:
bonds (distance) C4'-P energy: -51.952
bonds (distance) P-C4' energy: -48.564
flat angles C4'-P-C4' energy: -54.131
flat angles P-C4'-P energy: -47.784
tors. eta vs tors. theta energy: -68.083
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: 2
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -836.942201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.942201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.942201 (E_RNA)
where:
Base-Base interactions energy: -580.780
where: short stacking energy: -242.130
Base-Backbone interact. energy: 0.987
local terms energy: -257.148952
where:
bonds (distance) C4'-P energy: -42.527
bonds (distance) P-C4' energy: -59.725
flat angles C4'-P-C4' energy: -57.586
flat angles P-C4'-P energy: -33.104
tors. eta vs tors. theta energy: -64.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -796.122909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.122909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.122909 (E_RNA)
where:
Base-Base interactions energy: -543.899
where: short stacking energy: -232.759
Base-Backbone interact. energy: -0.922
local terms energy: -251.301777
where:
bonds (distance) C4'-P energy: -50.367
bonds (distance) P-C4' energy: -34.719
flat angles C4'-P-C4' energy: -53.810
flat angles P-C4'-P energy: -40.394
tors. eta vs tors. theta energy: -72.012
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: 6, replica: 8
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -800.118666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.118666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.118666 (E_RNA)
where:
Base-Base interactions energy: -548.235
where: short stacking energy: -221.586
Base-Backbone interact. energy: -1.060
local terms energy: -250.823845
where:
bonds (distance) C4'-P energy: -47.492
bonds (distance) P-C4' energy: -46.170
flat angles C4'-P-C4' energy: -56.287
flat angles P-C4'-P energy: -27.281
tors. eta vs tors. theta energy: -73.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -729.871120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.871120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.871120 (E_RNA)
where:
Base-Base interactions energy: -507.085
where: short stacking energy: -220.579
Base-Backbone interact. energy: 0.309
local terms energy: -223.095876
where:
bonds (distance) C4'-P energy: -42.898
bonds (distance) P-C4' energy: -41.437
flat angles C4'-P-C4' energy: -43.074
flat angles P-C4'-P energy: -32.581
tors. eta vs tors. theta energy: -63.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -649.193351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.193351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.193351 (E_RNA)
where:
Base-Base interactions energy: -444.851
where: short stacking energy: -189.118
Base-Backbone interact. energy: 0.010
local terms energy: -204.352380
where:
bonds (distance) C4'-P energy: -41.824
bonds (distance) P-C4' energy: -42.670
flat angles C4'-P-C4' energy: -55.335
flat angles P-C4'-P energy: -20.803
tors. eta vs tors. theta energy: -43.719
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: 1
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -604.921774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.921774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.921774 (E_RNA)
where:
Base-Base interactions energy: -410.621
where: short stacking energy: -168.543
Base-Backbone interact. energy: 1.413
local terms energy: -195.714430
where:
bonds (distance) C4'-P energy: -53.063
bonds (distance) P-C4' energy: -42.086
flat angles C4'-P-C4' energy: -48.655
flat angles P-C4'-P energy: -15.564
tors. eta vs tors. theta energy: -36.347
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: 6
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -247.577680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.577680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.577680 (E_RNA)
where:
Base-Base interactions energy: -108.048
where: short stacking energy: -83.422
Base-Backbone interact. energy: -0.197
local terms energy: -139.331931
where:
bonds (distance) C4'-P energy: -37.323
bonds (distance) P-C4' energy: -50.489
flat angles C4'-P-C4' energy: -27.459
flat angles P-C4'-P energy: -12.911
tors. eta vs tors. theta energy: -11.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -913.511321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.511321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.511321 (E_RNA)
where:
Base-Base interactions energy: -633.202
where: short stacking energy: -271.015
Base-Backbone interact. energy: -0.798
local terms energy: -279.511634
where:
bonds (distance) C4'-P energy: -57.624
bonds (distance) P-C4' energy: -49.336
flat angles C4'-P-C4' energy: -54.870
flat angles P-C4'-P energy: -43.829
tors. eta vs tors. theta energy: -73.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -891.924455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.924455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.924455 (E_RNA)
where:
Base-Base interactions energy: -617.268
where: short stacking energy: -265.117
Base-Backbone interact. energy: 0.947
local terms energy: -275.603982
where:
bonds (distance) C4'-P energy: -54.957
bonds (distance) P-C4' energy: -49.937
flat angles C4'-P-C4' energy: -53.441
flat angles P-C4'-P energy: -43.988
tors. eta vs tors. theta energy: -73.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -848.046181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.046181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.046181 (E_RNA)
where:
Base-Base interactions energy: -584.072
where: short stacking energy: -239.608
Base-Backbone interact. energy: -0.980
local terms energy: -262.994165
where:
bonds (distance) C4'-P energy: -57.662
bonds (distance) P-C4' energy: -53.565
flat angles C4'-P-C4' energy: -57.393
flat angles P-C4'-P energy: -31.281
tors. eta vs tors. theta energy: -63.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -826.128422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.128422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.128422 (E_RNA)
where:
Base-Base interactions energy: -571.713
where: short stacking energy: -227.258
Base-Backbone interact. energy: -1.231
local terms energy: -253.184582
where:
bonds (distance) C4'-P energy: -43.296
bonds (distance) P-C4' energy: -52.533
flat angles C4'-P-C4' energy: -57.009
flat angles P-C4'-P energy: -39.116
tors. eta vs tors. theta energy: -61.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -817.885709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.885709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.885709 (E_RNA)
where:
Base-Base interactions energy: -567.842
where: short stacking energy: -236.136
Base-Backbone interact. energy: -1.544
local terms energy: -248.499941
where:
bonds (distance) C4'-P energy: -38.514
bonds (distance) P-C4' energy: -51.620
flat angles C4'-P-C4' energy: -58.247
flat angles P-C4'-P energy: -30.862
tors. eta vs tors. theta energy: -69.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -785.076185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.076185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.076185 (E_RNA)
where:
Base-Base interactions energy: -528.710
where: short stacking energy: -237.020
Base-Backbone interact. energy: 0.195
local terms energy: -256.560944
where:
bonds (distance) C4'-P energy: -51.934
bonds (distance) P-C4' energy: -43.498
flat angles C4'-P-C4' energy: -51.205
flat angles P-C4'-P energy: -40.874
tors. eta vs tors. theta energy: -69.050
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: 7, replica: 10
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -752.158961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.158961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.158961 (E_RNA)
where:
Base-Base interactions energy: -525.500
where: short stacking energy: -213.233
Base-Backbone interact. energy: -0.428
local terms energy: -226.231017
where:
bonds (distance) C4'-P energy: -36.264
bonds (distance) P-C4' energy: -44.028
flat angles C4'-P-C4' energy: -46.187
flat angles P-C4'-P energy: -40.476
tors. eta vs tors. theta energy: -59.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -680.823779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.823779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.823779 (E_RNA)
where:
Base-Base interactions energy: -463.266
where: short stacking energy: -210.100
Base-Backbone interact. energy: -0.774
local terms energy: -216.783459
where:
bonds (distance) C4'-P energy: -38.615
bonds (distance) P-C4' energy: -48.562
flat angles C4'-P-C4' energy: -48.415
flat angles P-C4'-P energy: -20.786
tors. eta vs tors. theta energy: -60.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -578.360799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.360799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.360799 (E_RNA)
where:
Base-Base interactions energy: -391.687
where: short stacking energy: -161.299
Base-Backbone interact. energy: 0.473
local terms energy: -187.147344
where:
bonds (distance) C4'-P energy: -31.519
bonds (distance) P-C4' energy: -41.523
flat angles C4'-P-C4' energy: -49.724
flat angles P-C4'-P energy: -26.965
tors. eta vs tors. theta energy: -37.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -226.065454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.065454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.065454 (E_RNA)
where:
Base-Base interactions energy: -89.709
where: short stacking energy: -55.211
Base-Backbone interact. energy: -1.005
local terms energy: -135.351197
where:
bonds (distance) C4'-P energy: -26.392
bonds (distance) P-C4' energy: -58.336
flat angles C4'-P-C4' energy: -35.551
flat angles P-C4'-P energy: -25.377
tors. eta vs tors. theta energy: 10.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -929.460546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.460546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.460546 (E_RNA)
where:
Base-Base interactions energy: -632.441
where: short stacking energy: -278.172
Base-Backbone interact. energy: -1.338
local terms energy: -295.682066
where:
bonds (distance) C4'-P energy: -55.183
bonds (distance) P-C4' energy: -62.681
flat angles C4'-P-C4' energy: -58.205
flat angles P-C4'-P energy: -38.191
tors. eta vs tors. theta energy: -81.423
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: 2, replica: 2
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -868.835379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.835379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.835379 (E_RNA)
where:
Base-Base interactions energy: -607.967
where: short stacking energy: -251.836
Base-Backbone interact. energy: 0.324
local terms energy: -261.191821
where:
bonds (distance) C4'-P energy: -50.110
bonds (distance) P-C4' energy: -46.795
flat angles C4'-P-C4' energy: -63.353
flat angles P-C4'-P energy: -41.033
tors. eta vs tors. theta energy: -59.901
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: 7
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -872.695619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.695619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.695619 (E_RNA)
where:
Base-Base interactions energy: -593.245
where: short stacking energy: -268.476
Base-Backbone interact. energy: -0.796
local terms energy: -278.654083
where:
bonds (distance) C4'-P energy: -52.911
bonds (distance) P-C4' energy: -60.846
flat angles C4'-P-C4' energy: -53.955
flat angles P-C4'-P energy: -38.601
tors. eta vs tors. theta energy: -72.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -839.125557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.125557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.125557 (E_RNA)
where:
Base-Base interactions energy: -586.339
where: short stacking energy: -238.790
Base-Backbone interact. energy: -1.339
local terms energy: -251.447721
where:
bonds (distance) C4'-P energy: -44.268
bonds (distance) P-C4' energy: -49.024
flat angles C4'-P-C4' energy: -56.469
flat angles P-C4'-P energy: -34.970
tors. eta vs tors. theta energy: -66.718
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: 8
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -831.113017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.113017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.113017 (E_RNA)
where:
Base-Base interactions energy: -569.446
where: short stacking energy: -238.455
Base-Backbone interact. energy: -0.253
local terms energy: -261.413783
where:
bonds (distance) C4'-P energy: -48.781
bonds (distance) P-C4' energy: -47.091
flat angles C4'-P-C4' energy: -53.711
flat angles P-C4'-P energy: -43.027
tors. eta vs tors. theta energy: -68.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -794.871162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.871162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.871162 (E_RNA)
where:
Base-Base interactions energy: -546.908
where: short stacking energy: -233.872
Base-Backbone interact. energy: -0.260
local terms energy: -247.702647
where:
bonds (distance) C4'-P energy: -40.620
bonds (distance) P-C4' energy: -49.996
flat angles C4'-P-C4' energy: -50.992
flat angles P-C4'-P energy: -35.366
tors. eta vs tors. theta energy: -70.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -730.350891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.350891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.350891 (E_RNA)
where:
Base-Base interactions energy: -502.996
where: short stacking energy: -206.608
Base-Backbone interact. energy: -0.674
local terms energy: -226.680764
where:
bonds (distance) C4'-P energy: -40.436
bonds (distance) P-C4' energy: -42.317
flat angles C4'-P-C4' energy: -54.961
flat angles P-C4'-P energy: -36.707
tors. eta vs tors. theta energy: -52.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -671.613988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.613988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.613988 (E_RNA)
where:
Base-Base interactions energy: -470.771
where: short stacking energy: -185.405
Base-Backbone interact. energy: -2.141
local terms energy: -198.701824
where:
bonds (distance) C4'-P energy: -49.875
bonds (distance) P-C4' energy: -32.101
flat angles C4'-P-C4' energy: -44.570
flat angles P-C4'-P energy: -17.764
tors. eta vs tors. theta energy: -54.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -634.015086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.015086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.015086 (E_RNA)
where:
Base-Base interactions energy: -447.915
where: short stacking energy: -185.866
Base-Backbone interact. energy: -1.283
local terms energy: -184.816507
where:
bonds (distance) C4'-P energy: -38.919
bonds (distance) P-C4' energy: -35.843
flat angles C4'-P-C4' energy: -38.707
flat angles P-C4'-P energy: -27.007
tors. eta vs tors. theta energy: -44.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -235.171509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.171509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.171509 (E_RNA)
where:
Base-Base interactions energy: -85.612
where: short stacking energy: -64.269
Base-Backbone interact. energy: 2.291
local terms energy: -151.850578
where:
bonds (distance) C4'-P energy: -42.644
bonds (distance) P-C4' energy: -48.447
flat angles C4'-P-C4' energy: -43.398
flat angles P-C4'-P energy: -27.818
tors. eta vs tors. theta energy: 10.457
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: 3
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -916.405239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.405239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.405239 (E_RNA)
where:
Base-Base interactions energy: -628.587
where: short stacking energy: -281.107
Base-Backbone interact. energy: 6.952
local terms energy: -294.770407
where:
bonds (distance) C4'-P energy: -52.086
bonds (distance) P-C4' energy: -55.737
flat angles C4'-P-C4' energy: -65.035
flat angles P-C4'-P energy: -43.459
tors. eta vs tors. theta energy: -78.453
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: 2
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -856.431120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.431120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.431120 (E_RNA)
where:
Base-Base interactions energy: -583.146
where: short stacking energy: -253.136
Base-Backbone interact. energy: -0.659
local terms energy: -272.626751
where:
bonds (distance) C4'-P energy: -52.356
bonds (distance) P-C4' energy: -56.922
flat angles C4'-P-C4' energy: -58.338
flat angles P-C4'-P energy: -38.339
tors. eta vs tors. theta energy: -66.672
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: 7
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -851.883553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.883553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.883553 (E_RNA)
where:
Base-Base interactions energy: -594.930
where: short stacking energy: -257.121
Base-Backbone interact. energy: 0.188
local terms energy: -257.141633
where:
bonds (distance) C4'-P energy: -41.719
bonds (distance) P-C4' energy: -49.601
flat angles C4'-P-C4' energy: -60.958
flat angles P-C4'-P energy: -40.301
tors. eta vs tors. theta energy: -64.562
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: 5
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -841.773429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.773429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.773429 (E_RNA)
where:
Base-Base interactions energy: -584.838
where: short stacking energy: -277.141
Base-Backbone interact. energy: -0.452
local terms energy: -256.483364
where:
bonds (distance) C4'-P energy: -48.978
bonds (distance) P-C4' energy: -45.387
flat angles C4'-P-C4' energy: -48.150
flat angles P-C4'-P energy: -37.030
tors. eta vs tors. theta energy: -76.938
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: 9
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -841.716565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.716565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.716565 (E_RNA)
where:
Base-Base interactions energy: -572.078
where: short stacking energy: -237.319
Base-Backbone interact. energy: -0.718
local terms energy: -268.920281
where:
bonds (distance) C4'-P energy: -55.550
bonds (distance) P-C4' energy: -54.725
flat angles C4'-P-C4' energy: -56.898
flat angles P-C4'-P energy: -38.784
tors. eta vs tors. theta energy: -62.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -820.454175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.454175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.454175 (E_RNA)
where:
Base-Base interactions energy: -561.495
where: short stacking energy: -246.573
Base-Backbone interact. energy: 0.967
local terms energy: -259.926949
where:
bonds (distance) C4'-P energy: -44.237
bonds (distance) P-C4' energy: -49.849
flat angles C4'-P-C4' energy: -57.637
flat angles P-C4'-P energy: -34.906
tors. eta vs tors. theta energy: -73.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -763.699732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.699732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.699732 (E_RNA)
where:
Base-Base interactions energy: -529.644
where: short stacking energy: -237.805
Base-Backbone interact. energy: -1.021
local terms energy: -233.034716
where:
bonds (distance) C4'-P energy: -49.481
bonds (distance) P-C4' energy: -41.620
flat angles C4'-P-C4' energy: -50.388
flat angles P-C4'-P energy: -34.587
tors. eta vs tors. theta energy: -56.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -689.220887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.220887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.220887 (E_RNA)
where:
Base-Base interactions energy: -471.105
where: short stacking energy: -191.342
Base-Backbone interact. energy: -1.123
local terms energy: -216.992502
where:
bonds (distance) C4'-P energy: -41.371
bonds (distance) P-C4' energy: -38.483
flat angles C4'-P-C4' energy: -47.933
flat angles P-C4'-P energy: -34.500
tors. eta vs tors. theta energy: -54.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -643.062190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.062190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.062190 (E_RNA)
where:
Base-Base interactions energy: -424.314
where: short stacking energy: -167.689
Base-Backbone interact. energy: 1.150
local terms energy: -219.898500
where:
bonds (distance) C4'-P energy: -45.090
bonds (distance) P-C4' energy: -46.616
flat angles C4'-P-C4' energy: -46.947
flat angles P-C4'-P energy: -31.542
tors. eta vs tors. theta energy: -49.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -215.371181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.371181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.371181 (E_RNA)
where:
Base-Base interactions energy: -87.405
where: short stacking energy: -67.397
Base-Backbone interact. energy: 1.902
local terms energy: -129.867630
where:
bonds (distance) C4'-P energy: -34.981
bonds (distance) P-C4' energy: -38.661
flat angles C4'-P-C4' energy: -36.951
flat angles P-C4'-P energy: -17.892
tors. eta vs tors. theta energy: -1.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -910.834632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.834632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.834632 (E_RNA)
where:
Base-Base interactions energy: -621.555
where: short stacking energy: -267.921
Base-Backbone interact. energy: 0.178
local terms energy: -289.457045
where:
bonds (distance) C4'-P energy: -53.200
bonds (distance) P-C4' energy: -56.118
flat angles C4'-P-C4' energy: -59.030
flat angles P-C4'-P energy: -43.817
tors. eta vs tors. theta energy: -77.292
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: 2
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -869.779967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.779967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.779967 (E_RNA)
where:
Base-Base interactions energy: -606.057
where: short stacking energy: -255.429
Base-Backbone interact. energy: -2.202
local terms energy: -261.521086
where:
bonds (distance) C4'-P energy: -46.761
bonds (distance) P-C4' energy: -51.855
flat angles C4'-P-C4' energy: -59.319
flat angles P-C4'-P energy: -32.878
tors. eta vs tors. theta energy: -70.709
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: 7
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -875.061628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.061628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.061628 (E_RNA)
where:
Base-Base interactions energy: -614.244
where: short stacking energy: -249.171
Base-Backbone interact. energy: -1.287
local terms energy: -259.530889
where:
bonds (distance) C4'-P energy: -51.585
bonds (distance) P-C4' energy: -51.116
flat angles C4'-P-C4' energy: -59.029
flat angles P-C4'-P energy: -29.541
tors. eta vs tors. theta energy: -68.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -816.553364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.553364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.553364 (E_RNA)
where:
Base-Base interactions energy: -561.166
where: short stacking energy: -250.452
Base-Backbone interact. energy: 3.116
local terms energy: -258.503330
where:
bonds (distance) C4'-P energy: -45.935
bonds (distance) P-C4' energy: -43.224
flat angles C4'-P-C4' energy: -57.150
flat angles P-C4'-P energy: -40.311
tors. eta vs tors. theta energy: -71.884
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: 5, replica: 9
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -827.558435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.558435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.558435 (E_RNA)
where:
Base-Base interactions energy: -575.437
where: short stacking energy: -242.215
Base-Backbone interact. energy: -1.405
local terms energy: -250.716316
where:
bonds (distance) C4'-P energy: -54.956
bonds (distance) P-C4' energy: -50.606
flat angles C4'-P-C4' energy: -49.386
flat angles P-C4'-P energy: -30.330
tors. eta vs tors. theta energy: -65.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -778.612727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.612727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.612727 (E_RNA)
where:
Base-Base interactions energy: -518.758
where: short stacking energy: -228.406
Base-Backbone interact. energy: -0.106
local terms energy: -259.748230
where:
bonds (distance) C4'-P energy: -52.360
bonds (distance) P-C4' energy: -47.715
flat angles C4'-P-C4' energy: -58.559
flat angles P-C4'-P energy: -38.215
tors. eta vs tors. theta energy: -62.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -750.498433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.498433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.498433 (E_RNA)
where:
Base-Base interactions energy: -515.677
where: short stacking energy: -212.028
Base-Backbone interact. energy: -0.642
local terms energy: -234.179940
where:
bonds (distance) C4'-P energy: -39.184
bonds (distance) P-C4' energy: -49.325
flat angles C4'-P-C4' energy: -55.504
flat angles P-C4'-P energy: -35.657
tors. eta vs tors. theta energy: -54.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -729.178522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.178522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.178522 (E_RNA)
where:
Base-Base interactions energy: -500.594
where: short stacking energy: -207.965
Base-Backbone interact. energy: 1.567
local terms energy: -230.151946
where:
bonds (distance) C4'-P energy: -44.557
bonds (distance) P-C4' energy: -44.977
flat angles C4'-P-C4' energy: -54.910
flat angles P-C4'-P energy: -31.376
tors. eta vs tors. theta energy: -54.332
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: 9, replica: 4
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -660.251071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.251071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.251071 (E_RNA)
where:
Base-Base interactions energy: -465.493
where: short stacking energy: -196.026
Base-Backbone interact. energy: -0.446
local terms energy: -194.312449
where:
bonds (distance) C4'-P energy: -28.970
bonds (distance) P-C4' energy: -38.407
flat angles C4'-P-C4' energy: -50.334
flat angles P-C4'-P energy: -25.160
tors. eta vs tors. theta energy: -51.443
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: 6
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -235.013356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.013356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.013356 (E_RNA)
where:
Base-Base interactions energy: -73.757
where: short stacking energy: -63.847
Base-Backbone interact. energy: 0.925
local terms energy: -162.181936
where:
bonds (distance) C4'-P energy: -48.107
bonds (distance) P-C4' energy: -45.256
flat angles C4'-P-C4' energy: -46.573
flat angles P-C4'-P energy: -25.659
tors. eta vs tors. theta energy: 3.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -889.085413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.085413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.085413 (E_RNA)
where:
Base-Base interactions energy: -611.082
where: short stacking energy: -260.402
Base-Backbone interact. energy: -1.235
local terms energy: -276.768743
where:
bonds (distance) C4'-P energy: -51.488
bonds (distance) P-C4' energy: -57.502
flat angles C4'-P-C4' energy: -64.571
flat angles P-C4'-P energy: -31.998
tors. eta vs tors. theta energy: -71.211
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: 3
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -896.544211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.544211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.544211 (E_RNA)
where:
Base-Base interactions energy: -624.981
where: short stacking energy: -266.288
Base-Backbone interact. energy: 1.234
local terms energy: -272.797305
where:
bonds (distance) C4'-P energy: -50.575
bonds (distance) P-C4' energy: -51.303
flat angles C4'-P-C4' energy: -58.927
flat angles P-C4'-P energy: -41.296
tors. eta vs tors. theta energy: -70.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -855.208283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.208283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.208283 (E_RNA)
where:
Base-Base interactions energy: -592.959
where: short stacking energy: -256.347
Base-Backbone interact. energy: -0.446
local terms energy: -261.803609
where:
bonds (distance) C4'-P energy: -51.486
bonds (distance) P-C4' energy: -44.439
flat angles C4'-P-C4' energy: -52.774
flat angles P-C4'-P energy: -38.326
tors. eta vs tors. theta energy: -74.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -806.371938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.371938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.371938 (E_RNA)
where:
Base-Base interactions energy: -560.116
where: short stacking energy: -228.299
Base-Backbone interact. energy: -1.038
local terms energy: -245.217885
where:
bonds (distance) C4'-P energy: -47.837
bonds (distance) P-C4' energy: -52.601
flat angles C4'-P-C4' energy: -41.618
flat angles P-C4'-P energy: -36.744
tors. eta vs tors. theta energy: -66.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -810.795563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.795563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.795563 (E_RNA)
where:
Base-Base interactions energy: -547.655
where: short stacking energy: -243.226
Base-Backbone interact. energy: -0.606
local terms energy: -262.534680
where:
bonds (distance) C4'-P energy: -50.227
bonds (distance) P-C4' energy: -42.042
flat angles C4'-P-C4' energy: -57.175
flat angles P-C4'-P energy: -40.695
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: 6, replica: 8
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -774.857099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.857099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.857099 (E_RNA)
where:
Base-Base interactions energy: -533.338
where: short stacking energy: -212.648
Base-Backbone interact. energy: 0.049
local terms energy: -241.567873
where:
bonds (distance) C4'-P energy: -43.490
bonds (distance) P-C4' energy: -49.985
flat angles C4'-P-C4' energy: -49.527
flat angles P-C4'-P energy: -35.911
tors. eta vs tors. theta energy: -62.654
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: 1
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -749.228588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.228588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.228588 (E_RNA)
where:
Base-Base interactions energy: -517.349
where: short stacking energy: -214.746
Base-Backbone interact. energy: -1.232
local terms energy: -230.647293
where:
bonds (distance) C4'-P energy: -38.118
bonds (distance) P-C4' energy: -41.743
flat angles C4'-P-C4' energy: -55.782
flat angles P-C4'-P energy: -22.332
tors. eta vs tors. theta energy: -72.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -745.897070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.897070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.897070 (E_RNA)
where:
Base-Base interactions energy: -507.796
where: short stacking energy: -204.975
Base-Backbone interact. energy: -0.904
local terms energy: -237.197463
where:
bonds (distance) C4'-P energy: -45.398
bonds (distance) P-C4' energy: -49.154
flat angles C4'-P-C4' energy: -57.230
flat angles P-C4'-P energy: -30.000
tors. eta vs tors. theta energy: -55.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -640.633949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.633949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.633949 (E_RNA)
where:
Base-Base interactions energy: -449.329
where: short stacking energy: -180.114
Base-Backbone interact. energy: 1.747
local terms energy: -193.051027
where:
bonds (distance) C4'-P energy: -30.230
bonds (distance) P-C4' energy: -44.220
flat angles C4'-P-C4' energy: -48.571
flat angles P-C4'-P energy: -31.561
tors. eta vs tors. theta energy: -38.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -250.442879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.442879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.442879 (E_RNA)
where:
Base-Base interactions energy: -118.354
where: short stacking energy: -73.125
Base-Backbone interact. energy: 0.157
local terms energy: -132.246407
where:
bonds (distance) C4'-P energy: -48.698
bonds (distance) P-C4' energy: -46.790
flat angles C4'-P-C4' energy: -20.777
flat angles P-C4'-P energy: -22.851
tors. eta vs tors. theta energy: 6.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -924.495344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.495344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.495344 (E_RNA)
where:
Base-Base interactions energy: -649.306
where: short stacking energy: -270.982
Base-Backbone interact. energy: 0.802
local terms energy: -275.991562
where:
bonds (distance) C4'-P energy: -50.253
bonds (distance) P-C4' energy: -53.741
flat angles C4'-P-C4' energy: -60.086
flat angles P-C4'-P energy: -42.065
tors. eta vs tors. theta energy: -69.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -893.708159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.708159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.708159 (E_RNA)
where:
Base-Base interactions energy: -631.530
where: short stacking energy: -264.927
Base-Backbone interact. energy: -0.038
local terms energy: -262.140278
where:
bonds (distance) C4'-P energy: -47.605
bonds (distance) P-C4' energy: -49.063
flat angles C4'-P-C4' energy: -53.322
flat angles P-C4'-P energy: -40.879
tors. eta vs tors. theta energy: -71.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -848.120831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.120831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.120831 (E_RNA)
where:
Base-Base interactions energy: -572.446
where: short stacking energy: -237.253
Base-Backbone interact. energy: -1.735
local terms energy: -273.939532
where:
bonds (distance) C4'-P energy: -50.084
bonds (distance) P-C4' energy: -55.772
flat angles C4'-P-C4' energy: -61.498
flat angles P-C4'-P energy: -41.554
tors. eta vs tors. theta energy: -65.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -821.094855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.094855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.094855 (E_RNA)
where:
Base-Base interactions energy: -564.636
where: short stacking energy: -254.057
Base-Backbone interact. energy: -0.368
local terms energy: -256.091129
where:
bonds (distance) C4'-P energy: -50.086
bonds (distance) P-C4' energy: -47.275
flat angles C4'-P-C4' energy: -58.636
flat angles P-C4'-P energy: -35.838
tors. eta vs tors. theta energy: -64.256
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: 9
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -810.915610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.915610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.915610 (E_RNA)
where:
Base-Base interactions energy: -552.353
where: short stacking energy: -237.516
Base-Backbone interact. energy: -0.318
local terms energy: -258.243832
where:
bonds (distance) C4'-P energy: -54.615
bonds (distance) P-C4' energy: -50.341
flat angles C4'-P-C4' energy: -53.604
flat angles P-C4'-P energy: -35.294
tors. eta vs tors. theta energy: -64.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -793.597616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.597616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.597616 (E_RNA)
where:
Base-Base interactions energy: -566.077
where: short stacking energy: -244.526
Base-Backbone interact. energy: -0.195
local terms energy: -227.325175
where:
bonds (distance) C4'-P energy: -44.969
bonds (distance) P-C4' energy: -44.053
flat angles C4'-P-C4' energy: -44.595
flat angles P-C4'-P energy: -24.325
tors. eta vs tors. theta energy: -69.383
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: 1
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -742.139668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.139668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.139668 (E_RNA)
where:
Base-Base interactions energy: -534.005
where: short stacking energy: -219.092
Base-Backbone interact. energy: 0.153
local terms energy: -208.287049
where:
bonds (distance) C4'-P energy: -39.259
bonds (distance) P-C4' energy: -37.091
flat angles C4'-P-C4' energy: -40.700
flat angles P-C4'-P energy: -30.054
tors. eta vs tors. theta energy: -61.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -682.083805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.083805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.083805 (E_RNA)
where:
Base-Base interactions energy: -457.322
where: short stacking energy: -196.983
Base-Backbone interact. energy: -1.044
local terms energy: -223.717984
where:
bonds (distance) C4'-P energy: -42.470
bonds (distance) P-C4' energy: -49.479
flat angles C4'-P-C4' energy: -46.241
flat angles P-C4'-P energy: -31.293
tors. eta vs tors. theta energy: -54.235
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: 4
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -617.480367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.480367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.480367 (E_RNA)
where:
Base-Base interactions energy: -421.656
where: short stacking energy: -163.382
Base-Backbone interact. energy: -1.405
local terms energy: -194.419489
where:
bonds (distance) C4'-P energy: -49.173
bonds (distance) P-C4' energy: -41.644
flat angles C4'-P-C4' energy: -38.004
flat angles P-C4'-P energy: -32.383
tors. eta vs tors. theta energy: -33.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -231.053196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.053196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.053196 (E_RNA)
where:
Base-Base interactions energy: -88.991
where: short stacking energy: -47.654
Base-Backbone interact. energy: 0.745
local terms energy: -142.807971
where:
bonds (distance) C4'-P energy: -40.915
bonds (distance) P-C4' energy: -34.581
flat angles C4'-P-C4' energy: -45.643
flat angles P-C4'-P energy: -30.998
tors. eta vs tors. theta energy: 9.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -912.107447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.107447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.107447 (E_RNA)
where:
Base-Base interactions energy: -633.652
where: short stacking energy: -264.203
Base-Backbone interact. energy: 1.600
local terms energy: -280.054747
where:
bonds (distance) C4'-P energy: -55.913
bonds (distance) P-C4' energy: -46.293
flat angles C4'-P-C4' energy: -59.612
flat angles P-C4'-P energy: -47.412
tors. eta vs tors. theta energy: -70.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -898.815304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.815304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.815304 (E_RNA)
where:
Base-Base interactions energy: -626.916
where: short stacking energy: -264.557
Base-Backbone interact. energy: -0.696
local terms energy: -271.202674
where:
bonds (distance) C4'-P energy: -46.487
bonds (distance) P-C4' energy: -50.349
flat angles C4'-P-C4' energy: -57.081
flat angles P-C4'-P energy: -47.325
tors. eta vs tors. theta energy: -69.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -837.982194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.982194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.982194 (E_RNA)
where:
Base-Base interactions energy: -576.237
where: short stacking energy: -234.644
Base-Backbone interact. energy: -1.269
local terms energy: -260.475800
where:
bonds (distance) C4'-P energy: -49.353
bonds (distance) P-C4' energy: -55.013
flat angles C4'-P-C4' energy: -47.845
flat angles P-C4'-P energy: -39.753
tors. eta vs tors. theta energy: -68.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -858.335833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.335833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.335833 (E_RNA)
where:
Base-Base interactions energy: -592.073
where: short stacking energy: -252.525
Base-Backbone interact. energy: 1.355
local terms energy: -267.617745
where:
bonds (distance) C4'-P energy: -38.780
bonds (distance) P-C4' energy: -52.530
flat angles C4'-P-C4' energy: -54.793
flat angles P-C4'-P energy: -46.827
tors. eta vs tors. theta energy: -74.688
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: 5, replica: 8
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -788.734967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.734967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.734967 (E_RNA)
where:
Base-Base interactions energy: -549.817
where: short stacking energy: -213.945
Base-Backbone interact. energy: -0.418
local terms energy: -238.499594
where:
bonds (distance) C4'-P energy: -46.946
bonds (distance) P-C4' energy: -41.826
flat angles C4'-P-C4' energy: -52.757
flat angles P-C4'-P energy: -35.887
tors. eta vs tors. theta energy: -61.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -770.214775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.214775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.214775 (E_RNA)
where:
Base-Base interactions energy: -532.758
where: short stacking energy: -214.979
Base-Backbone interact. energy: 0.585
local terms energy: -238.042289
where:
bonds (distance) C4'-P energy: -40.796
bonds (distance) P-C4' energy: -52.277
flat angles C4'-P-C4' energy: -48.665
flat angles P-C4'-P energy: -39.921
tors. eta vs tors. theta energy: -56.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -731.780603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.780603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.780603 (E_RNA)
where:
Base-Base interactions energy: -517.279
where: short stacking energy: -199.351
Base-Backbone interact. energy: -0.543
local terms energy: -213.959029
where:
bonds (distance) C4'-P energy: -34.828
bonds (distance) P-C4' energy: -46.155
flat angles C4'-P-C4' energy: -45.363
flat angles P-C4'-P energy: -36.651
tors. eta vs tors. theta energy: -50.962
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: 1
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -752.908225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.908225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.908225 (E_RNA)
where:
Base-Base interactions energy: -515.916
where: short stacking energy: -223.473
Base-Backbone interact. energy: -0.380
local terms energy: -236.612300
where:
bonds (distance) C4'-P energy: -52.218
bonds (distance) P-C4' energy: -38.793
flat angles C4'-P-C4' energy: -45.852
flat angles P-C4'-P energy: -37.059
tors. eta vs tors. theta energy: -62.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -671.562784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.562784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.562784 (E_RNA)
where:
Base-Base interactions energy: -443.253
where: short stacking energy: -185.307
Base-Backbone interact. energy: -0.772
local terms energy: -227.538011
where:
bonds (distance) C4'-P energy: -46.359
bonds (distance) P-C4' energy: -54.240
flat angles C4'-P-C4' energy: -50.595
flat angles P-C4'-P energy: -35.946
tors. eta vs tors. theta energy: -40.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -225.260804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.260804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.260804 (E_RNA)
where:
Base-Base interactions energy: -69.829
where: short stacking energy: -51.918
Base-Backbone interact. energy: -2.311
local terms energy: -153.120133
where:
bonds (distance) C4'-P energy: -41.565
bonds (distance) P-C4' energy: -48.054
flat angles C4'-P-C4' energy: -44.174
flat angles P-C4'-P energy: -15.953
tors. eta vs tors. theta energy: -3.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -883.617615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.617615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.617615 (E_RNA)
where:
Base-Base interactions energy: -608.546
where: short stacking energy: -261.761
Base-Backbone interact. energy: -0.866
local terms energy: -274.205886
where:
bonds (distance) C4'-P energy: -56.499
bonds (distance) P-C4' energy: -54.896
flat angles C4'-P-C4' energy: -62.022
flat angles P-C4'-P energy: -38.545
tors. eta vs tors. theta energy: -62.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -909.673565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.673565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.673565 (E_RNA)
where:
Base-Base interactions energy: -628.030
where: short stacking energy: -262.892
Base-Backbone interact. energy: -1.869
local terms energy: -279.774504
where:
bonds (distance) C4'-P energy: -55.785
bonds (distance) P-C4' energy: -49.465
flat angles C4'-P-C4' energy: -62.395
flat angles P-C4'-P energy: -37.393
tors. eta vs tors. theta energy: -74.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -881.408086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.408086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.408086 (E_RNA)
where:
Base-Base interactions energy: -609.809
where: short stacking energy: -260.713
Base-Backbone interact. energy: -0.595
local terms energy: -271.003522
where:
bonds (distance) C4'-P energy: -47.428
bonds (distance) P-C4' energy: -57.267
flat angles C4'-P-C4' energy: -49.966
flat angles P-C4'-P energy: -44.182
tors. eta vs tors. theta energy: -72.161
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: 8
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -840.333958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.333958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.333958 (E_RNA)
where:
Base-Base interactions energy: -572.168
where: short stacking energy: -236.156
Base-Backbone interact. energy: -0.739
local terms energy: -267.427201
where:
bonds (distance) C4'-P energy: -44.870
bonds (distance) P-C4' energy: -50.513
flat angles C4'-P-C4' energy: -63.839
flat angles P-C4'-P energy: -38.490
tors. eta vs tors. theta energy: -69.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -821.025192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.025192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.025192 (E_RNA)
where:
Base-Base interactions energy: -569.177
where: short stacking energy: -240.625
Base-Backbone interact. energy: -1.421
local terms energy: -250.426929
where:
bonds (distance) C4'-P energy: -42.139
bonds (distance) P-C4' energy: -48.735
flat angles C4'-P-C4' energy: -50.002
flat angles P-C4'-P energy: -43.102
tors. eta vs tors. theta energy: -66.449
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: 9
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -778.246891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.246891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.246891 (E_RNA)
where:
Base-Base interactions energy: -530.730
where: short stacking energy: -222.329
Base-Backbone interact. energy: -0.668
local terms energy: -246.848625
where:
bonds (distance) C4'-P energy: -34.830
bonds (distance) P-C4' energy: -52.993
flat angles C4'-P-C4' energy: -54.676
flat angles P-C4'-P energy: -34.225
tors. eta vs tors. theta energy: -70.125
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: 10
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -729.063674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.063674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.063674 (E_RNA)
where:
Base-Base interactions energy: -497.494
where: short stacking energy: -219.932
Base-Backbone interact. energy: -1.476
local terms energy: -230.093479
where:
bonds (distance) C4'-P energy: -50.511
bonds (distance) P-C4' energy: -42.969
flat angles C4'-P-C4' energy: -46.658
flat angles P-C4'-P energy: -27.522
tors. eta vs tors. theta energy: -62.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -722.255680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.255680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.255680 (E_RNA)
where:
Base-Base interactions energy: -493.671
where: short stacking energy: -215.209
Base-Backbone interact. energy: 1.437
local terms energy: -230.022465
where:
bonds (distance) C4'-P energy: -48.957
bonds (distance) P-C4' energy: -45.344
flat angles C4'-P-C4' energy: -57.156
flat angles P-C4'-P energy: -13.698
tors. eta vs tors. theta energy: -64.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -674.788261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.788261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.788261 (E_RNA)
where:
Base-Base interactions energy: -469.248
where: short stacking energy: -188.354
Base-Backbone interact. energy: -1.687
local terms energy: -203.853802
where:
bonds (distance) C4'-P energy: -34.242
bonds (distance) P-C4' energy: -30.819
flat angles C4'-P-C4' energy: -47.919
flat angles P-C4'-P energy: -39.280
tors. eta vs tors. theta energy: -51.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -234.501491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.501491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.501491 (E_RNA)
where:
Base-Base interactions energy: -93.205
where: short stacking energy: -87.963
Base-Backbone interact. energy: 0.004
local terms energy: -141.299985
where:
bonds (distance) C4'-P energy: -44.333
bonds (distance) P-C4' energy: -33.684
flat angles C4'-P-C4' energy: -44.049
flat angles P-C4'-P energy: -27.047
tors. eta vs tors. theta energy: 7.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -937.613457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.613457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.613457 (E_RNA)
where:
Base-Base interactions energy: -666.165
where: short stacking energy: -285.203
Base-Backbone interact. energy: -0.817
local terms energy: -270.631605
where:
bonds (distance) C4'-P energy: -48.101
bonds (distance) P-C4' energy: -56.342
flat angles C4'-P-C4' energy: -57.727
flat angles P-C4'-P energy: -34.861
tors. eta vs tors. theta energy: -73.599
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: 2
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -889.604484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.604484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.604484 (E_RNA)
where:
Base-Base interactions energy: -618.564
where: short stacking energy: -263.081
Base-Backbone interact. energy: 0.282
local terms energy: -271.321967
where:
bonds (distance) C4'-P energy: -56.119
bonds (distance) P-C4' energy: -48.066
flat angles C4'-P-C4' energy: -58.706
flat angles P-C4'-P energy: -42.922
tors. eta vs tors. theta energy: -65.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -832.928214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.928214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.928214 (E_RNA)
where:
Base-Base interactions energy: -575.842
where: short stacking energy: -257.844
Base-Backbone interact. energy: -0.218
local terms energy: -256.868251
where:
bonds (distance) C4'-P energy: -48.446
bonds (distance) P-C4' energy: -40.510
flat angles C4'-P-C4' energy: -53.570
flat angles P-C4'-P energy: -42.342
tors. eta vs tors. theta energy: -72.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -837.254573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.254573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.254573 (E_RNA)
where:
Base-Base interactions energy: -572.875
where: short stacking energy: -245.625
Base-Backbone interact. energy: 0.649
local terms energy: -265.028266
where:
bonds (distance) C4'-P energy: -51.620
bonds (distance) P-C4' energy: -48.002
flat angles C4'-P-C4' energy: -53.624
flat angles P-C4'-P energy: -38.106
tors. eta vs tors. theta energy: -73.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -812.063524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.063524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.063524 (E_RNA)
where:
Base-Base interactions energy: -576.585
where: short stacking energy: -232.177
Base-Backbone interact. energy: -0.770
local terms energy: -234.708585
where:
bonds (distance) C4'-P energy: -43.970
bonds (distance) P-C4' energy: -44.403
flat angles C4'-P-C4' energy: -54.191
flat angles P-C4'-P energy: -31.469
tors. eta vs tors. theta energy: -60.676
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: 9
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -783.731844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.731844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.731844 (E_RNA)
where:
Base-Base interactions energy: -557.963
where: short stacking energy: -222.368
Base-Backbone interact. energy: -1.404
local terms energy: -224.364510
where:
bonds (distance) C4'-P energy: -44.051
bonds (distance) P-C4' energy: -44.598
flat angles C4'-P-C4' energy: -39.901
flat angles P-C4'-P energy: -31.825
tors. eta vs tors. theta energy: -63.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -757.501917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.501917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.501917 (E_RNA)
where:
Base-Base interactions energy: -520.719
where: short stacking energy: -229.857
Base-Backbone interact. energy: -1.342
local terms energy: -235.440927
where:
bonds (distance) C4'-P energy: -54.341
bonds (distance) P-C4' energy: -37.540
flat angles C4'-P-C4' energy: -48.029
flat angles P-C4'-P energy: -38.532
tors. eta vs tors. theta energy: -56.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -713.459378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.459378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.459378 (E_RNA)
where:
Base-Base interactions energy: -496.467
where: short stacking energy: -201.043
Base-Backbone interact. energy: 4.039
local terms energy: -221.031435
where:
bonds (distance) C4'-P energy: -43.267
bonds (distance) P-C4' energy: -53.811
flat angles C4'-P-C4' energy: -51.733
flat angles P-C4'-P energy: -10.634
tors. eta vs tors. theta energy: -61.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -681.711717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.711717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.711717 (E_RNA)
where:
Base-Base interactions energy: -464.663
where: short stacking energy: -184.734
Base-Backbone interact. energy: -1.394
local terms energy: -215.653991
where:
bonds (distance) C4'-P energy: -40.206
bonds (distance) P-C4' energy: -48.689
flat angles C4'-P-C4' energy: -30.396
flat angles P-C4'-P energy: -40.252
tors. eta vs tors. theta energy: -56.111
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: 6
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -218.016171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.016171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.016171 (E_RNA)
where:
Base-Base interactions energy: -86.841
where: short stacking energy: -75.847
Base-Backbone interact. energy: -0.873
local terms energy: -130.301536
where:
bonds (distance) C4'-P energy: -42.480
bonds (distance) P-C4' energy: -37.168
flat angles C4'-P-C4' energy: -25.693
flat angles P-C4'-P energy: -23.284
tors. eta vs tors. theta energy: -1.676
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: 1, replica: 3
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -923.559135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.559135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.559135 (E_RNA)
where:
Base-Base interactions energy: -644.351
where: short stacking energy: -275.071
Base-Backbone interact. energy: 1.013
local terms energy: -280.221682
where:
bonds (distance) C4'-P energy: -52.075
bonds (distance) P-C4' energy: -49.421
flat angles C4'-P-C4' energy: -59.607
flat angles P-C4'-P energy: -47.871
tors. eta vs tors. theta energy: -71.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -866.346705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.346705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.346705 (E_RNA)
where:
Base-Base interactions energy: -601.246
where: short stacking energy: -253.650
Base-Backbone interact. energy: -0.519
local terms energy: -264.581120
where:
bonds (distance) C4'-P energy: -50.206
bonds (distance) P-C4' energy: -56.634
flat angles C4'-P-C4' energy: -56.652
flat angles P-C4'-P energy: -45.299
tors. eta vs tors. theta energy: -55.790
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: 8
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -854.254327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.254327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.254327 (E_RNA)
where:
Base-Base interactions energy: -584.613
where: short stacking energy: -262.320
Base-Backbone interact. energy: -0.757
local terms energy: -268.884547
where:
bonds (distance) C4'-P energy: -49.545
bonds (distance) P-C4' energy: -56.038
flat angles C4'-P-C4' energy: -59.765
flat angles P-C4'-P energy: -24.664
tors. eta vs tors. theta energy: -78.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -833.144129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.144129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.144129 (E_RNA)
where:
Base-Base interactions energy: -584.312
where: short stacking energy: -254.426
Base-Backbone interact. energy: -0.840
local terms energy: -247.992318
where:
bonds (distance) C4'-P energy: -42.601
bonds (distance) P-C4' energy: -45.157
flat angles C4'-P-C4' energy: -54.330
flat angles P-C4'-P energy: -35.391
tors. eta vs tors. theta energy: -70.513
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: 7
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -820.956031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.956031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.956031 (E_RNA)
where:
Base-Base interactions energy: -576.261
where: short stacking energy: -245.928
Base-Backbone interact. energy: -0.133
local terms energy: -244.562184
where:
bonds (distance) C4'-P energy: -36.499
bonds (distance) P-C4' energy: -48.023
flat angles C4'-P-C4' energy: -61.103
flat angles P-C4'-P energy: -33.104
tors. eta vs tors. theta energy: -65.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -757.368262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.368262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.368262 (E_RNA)
where:
Base-Base interactions energy: -540.089
where: short stacking energy: -227.263
Base-Backbone interact. energy: -0.554
local terms energy: -216.724587
where:
bonds (distance) C4'-P energy: -40.213
bonds (distance) P-C4' energy: -38.952
flat angles C4'-P-C4' energy: -47.381
flat angles P-C4'-P energy: -33.708
tors. eta vs tors. theta energy: -56.471
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: 7, replica: 9
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -757.995801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.995801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.995801 (E_RNA)
where:
Base-Base interactions energy: -517.197
where: short stacking energy: -212.482
Base-Backbone interact. energy: -0.701
local terms energy: -240.097691
where:
bonds (distance) C4'-P energy: -46.527
bonds (distance) P-C4' energy: -46.503
flat angles C4'-P-C4' energy: -52.505
flat angles P-C4'-P energy: -34.899
tors. eta vs tors. theta energy: -59.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -689.695552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.695552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.695552 (E_RNA)
where:
Base-Base interactions energy: -481.313
where: short stacking energy: -181.073
Base-Backbone interact. energy: -1.432
local terms energy: -206.950516
where:
bonds (distance) C4'-P energy: -47.878
bonds (distance) P-C4' energy: -40.058
flat angles C4'-P-C4' energy: -47.369
flat angles P-C4'-P energy: -28.413
tors. eta vs tors. theta energy: -43.232
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: 10
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -669.394794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.394794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.394794 (E_RNA)
where:
Base-Base interactions energy: -473.516
where: short stacking energy: -198.184
Base-Backbone interact. energy: -1.124
local terms energy: -194.754092
where:
bonds (distance) C4'-P energy: -26.838
bonds (distance) P-C4' energy: -44.902
flat angles C4'-P-C4' energy: -39.820
flat angles P-C4'-P energy: -35.826
tors. eta vs tors. theta energy: -47.368
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: 6
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -236.383697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.383697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.383697 (E_RNA)
where:
Base-Base interactions energy: -89.685
where: short stacking energy: -70.824
Base-Backbone interact. energy: -0.119
local terms energy: -146.580166
where:
bonds (distance) C4'-P energy: -41.456
bonds (distance) P-C4' energy: -49.468
flat angles C4'-P-C4' energy: -39.763
flat angles P-C4'-P energy: -13.095
tors. eta vs tors. theta energy: -2.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -930.759904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.759904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.759904 (E_RNA)
where:
Base-Base interactions energy: -642.581
where: short stacking energy: -281.411
Base-Backbone interact. energy: -1.688
local terms energy: -286.490055
where:
bonds (distance) C4'-P energy: -48.294
bonds (distance) P-C4' energy: -59.702
flat angles C4'-P-C4' energy: -62.334
flat angles P-C4'-P energy: -43.391
tors. eta vs tors. theta energy: -72.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -863.430799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.430799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.430799 (E_RNA)
where:
Base-Base interactions energy: -589.366
where: short stacking energy: -249.538
Base-Backbone interact. energy: -1.032
local terms energy: -273.033222
where:
bonds (distance) C4'-P energy: -55.103
bonds (distance) P-C4' energy: -57.676
flat angles C4'-P-C4' energy: -59.410
flat angles P-C4'-P energy: -35.687
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: 3, replica: 8
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -841.405277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.405277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.405277 (E_RNA)
where:
Base-Base interactions energy: -583.774
where: short stacking energy: -240.139
Base-Backbone interact. energy: -1.291
local terms energy: -256.340509
where:
bonds (distance) C4'-P energy: -46.966
bonds (distance) P-C4' energy: -50.238
flat angles C4'-P-C4' energy: -62.228
flat angles P-C4'-P energy: -31.088
tors. eta vs tors. theta energy: -65.821
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: 5
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -824.508862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.508862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.508862 (E_RNA)
where:
Base-Base interactions energy: -570.823
where: short stacking energy: -237.868
Base-Backbone interact. energy: -1.986
local terms energy: -251.700037
where:
bonds (distance) C4'-P energy: -48.289
bonds (distance) P-C4' energy: -49.891
flat angles C4'-P-C4' energy: -51.352
flat angles P-C4'-P energy: -35.580
tors. eta vs tors. theta energy: -66.588
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: 1
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -816.083960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.083960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.083960 (E_RNA)
where:
Base-Base interactions energy: -558.939
where: short stacking energy: -256.632
Base-Backbone interact. energy: -0.085
local terms energy: -257.059045
where:
bonds (distance) C4'-P energy: -44.233
bonds (distance) P-C4' energy: -49.704
flat angles C4'-P-C4' energy: -58.222
flat angles P-C4'-P energy: -30.568
tors. eta vs tors. theta energy: -74.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -793.037114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.037114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.037114 (E_RNA)
where:
Base-Base interactions energy: -556.952
where: short stacking energy: -224.898
Base-Backbone interact. energy: -1.257
local terms energy: -234.827847
where:
bonds (distance) C4'-P energy: -51.021
bonds (distance) P-C4' energy: -39.055
flat angles C4'-P-C4' energy: -49.944
flat angles P-C4'-P energy: -32.604
tors. eta vs tors. theta energy: -62.205
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: 9
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -777.350940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.350940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.350940 (E_RNA)
where:
Base-Base interactions energy: -538.479
where: short stacking energy: -232.014
Base-Backbone interact. energy: -0.998
local terms energy: -237.873618
where:
bonds (distance) C4'-P energy: -39.556
bonds (distance) P-C4' energy: -54.227
flat angles C4'-P-C4' energy: -58.198
flat angles P-C4'-P energy: -21.808
tors. eta vs tors. theta energy: -64.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -668.291582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.291582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.291582 (E_RNA)
where:
Base-Base interactions energy: -447.960
where: short stacking energy: -190.717
Base-Backbone interact. energy: -0.410
local terms energy: -219.921032
where:
bonds (distance) C4'-P energy: -46.226
bonds (distance) P-C4' energy: -47.785
flat angles C4'-P-C4' energy: -45.230
flat angles P-C4'-P energy: -30.218
tors. eta vs tors. theta energy: -50.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -668.246707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.246707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.246707 (E_RNA)
where:
Base-Base interactions energy: -450.201
where: short stacking energy: -188.225
Base-Backbone interact. energy: 0.286
local terms energy: -218.331830
where:
bonds (distance) C4'-P energy: -24.176
bonds (distance) P-C4' energy: -49.543
flat angles C4'-P-C4' energy: -50.516
flat angles P-C4'-P energy: -39.845
tors. eta vs tors. theta energy: -54.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -255.549814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.549814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.549814 (E_RNA)
where:
Base-Base interactions energy: -96.692
where: short stacking energy: -85.409
Base-Backbone interact. energy: 1.641
local terms energy: -160.499713
where:
bonds (distance) C4'-P energy: -44.836
bonds (distance) P-C4' energy: -49.029
flat angles C4'-P-C4' energy: -34.399
flat angles P-C4'-P energy: -23.492
tors. eta vs tors. theta energy: -8.744
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: 71
Temperature: 0.900000
Total energy: -927.448324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.448324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.448324 (E_RNA)
where:
Base-Base interactions energy: -643.318
where: short stacking energy: -274.843
Base-Backbone interact. energy: -1.790
local terms energy: -282.340976
where:
bonds (distance) C4'-P energy: -56.802
bonds (distance) P-C4' energy: -54.265
flat angles C4'-P-C4' energy: -60.168
flat angles P-C4'-P energy: -44.605
tors. eta vs tors. theta energy: -66.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -866.850970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.850970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.850970 (E_RNA)
where:
Base-Base interactions energy: -605.472
where: short stacking energy: -259.799
Base-Backbone interact. energy: -0.714
local terms energy: -260.665428
where:
bonds (distance) C4'-P energy: -50.500
bonds (distance) P-C4' energy: -53.153
flat angles C4'-P-C4' energy: -55.820
flat angles P-C4'-P energy: -33.094
tors. eta vs tors. theta energy: -68.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -844.973922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.973922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.973922 (E_RNA)
where:
Base-Base interactions energy: -581.276
where: short stacking energy: -247.023
Base-Backbone interact. energy: 0.290
local terms energy: -263.987118
where:
bonds (distance) C4'-P energy: -45.471
bonds (distance) P-C4' energy: -57.716
flat angles C4'-P-C4' energy: -55.213
flat angles P-C4'-P energy: -35.797
tors. eta vs tors. theta energy: -69.791
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: 4, replica: 1
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -821.506769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.506769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.506769 (E_RNA)
where:
Base-Base interactions energy: -561.451
where: short stacking energy: -248.196
Base-Backbone interact. energy: -1.868
local terms energy: -258.187555
where:
bonds (distance) C4'-P energy: -49.045
bonds (distance) P-C4' energy: -40.043
flat angles C4'-P-C4' energy: -57.792
flat angles P-C4'-P energy: -43.452
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: 5, replica: 5
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -805.510113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.510113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.510113 (E_RNA)
where:
Base-Base interactions energy: -573.314
where: short stacking energy: -248.636
Base-Backbone interact. energy: -1.066
local terms energy: -231.130460
where:
bonds (distance) C4'-P energy: -37.307
bonds (distance) P-C4' energy: -41.764
flat angles C4'-P-C4' energy: -53.390
flat angles P-C4'-P energy: -35.530
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: 6, replica: 7
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -780.321836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.321836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.321836 (E_RNA)
where:
Base-Base interactions energy: -534.400
where: short stacking energy: -228.927
Base-Backbone interact. energy: -0.049
local terms energy: -245.873124
where:
bonds (distance) C4'-P energy: -36.174
bonds (distance) P-C4' energy: -56.495
flat angles C4'-P-C4' energy: -49.771
flat angles P-C4'-P energy: -39.470
tors. eta vs tors. theta energy: -63.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -752.579795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.579795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.579795 (E_RNA)
where:
Base-Base interactions energy: -521.840
where: short stacking energy: -214.368
Base-Backbone interact. energy: 1.054
local terms energy: -231.793718
where:
bonds (distance) C4'-P energy: -45.455
bonds (distance) P-C4' energy: -45.751
flat angles C4'-P-C4' energy: -47.014
flat angles P-C4'-P energy: -33.146
tors. eta vs tors. theta energy: -60.429
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: 10
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -687.990010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.990010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.990010 (E_RNA)
where:
Base-Base interactions energy: -460.882
where: short stacking energy: -188.311
Base-Backbone interact. energy: 0.710
local terms energy: -227.817948
where:
bonds (distance) C4'-P energy: -45.916
bonds (distance) P-C4' energy: -53.549
flat angles C4'-P-C4' energy: -45.465
flat angles P-C4'-P energy: -31.200
tors. eta vs tors. theta energy: -51.688
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: 9, replica: 4
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -681.334007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.334007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.334007 (E_RNA)
where:
Base-Base interactions energy: -482.518
where: short stacking energy: -199.713
Base-Backbone interact. energy: -0.975
local terms energy: -197.840582
where:
bonds (distance) C4'-P energy: -35.656
bonds (distance) P-C4' energy: -32.618
flat angles C4'-P-C4' energy: -48.641
flat angles P-C4'-P energy: -26.323
tors. eta vs tors. theta energy: -54.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -235.461962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.461962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.461962 (E_RNA)
where:
Base-Base interactions energy: -95.205
where: short stacking energy: -74.602
Base-Backbone interact. energy: -1.028
local terms energy: -139.228658
where:
bonds (distance) C4'-P energy: -36.555
bonds (distance) P-C4' energy: -54.466
flat angles C4'-P-C4' energy: -34.132
flat angles P-C4'-P energy: -14.616
tors. eta vs tors. theta energy: 0.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -920.310303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.310303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.310303 (E_RNA)
where:
Base-Base interactions energy: -652.545
where: short stacking energy: -276.492
Base-Backbone interact. energy: 2.514
local terms energy: -270.280139
where:
bonds (distance) C4'-P energy: -44.780
bonds (distance) P-C4' energy: -49.615
flat angles C4'-P-C4' energy: -60.706
flat angles P-C4'-P energy: -44.275
tors. eta vs tors. theta energy: -70.904
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: 2, replica: 8
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -874.837658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.837658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.837658 (E_RNA)
where:
Base-Base interactions energy: -596.148
where: short stacking energy: -262.863
Base-Backbone interact. energy: -0.152
local terms energy: -278.537983
where:
bonds (distance) C4'-P energy: -45.312
bonds (distance) P-C4' energy: -56.740
flat angles C4'-P-C4' energy: -56.890
flat angles P-C4'-P energy: -44.303
tors. eta vs tors. theta energy: -75.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -878.850928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.850928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.850928 (E_RNA)
where:
Base-Base interactions energy: -596.667
where: short stacking energy: -251.141
Base-Backbone interact. energy: -0.581
local terms energy: -281.602461
where:
bonds (distance) C4'-P energy: -46.742
bonds (distance) P-C4' energy: -61.653
flat angles C4'-P-C4' energy: -63.041
flat angles P-C4'-P energy: -40.824
tors. eta vs tors. theta energy: -69.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -835.486801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.486801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.486801 (E_RNA)
where:
Base-Base interactions energy: -570.852
where: short stacking energy: -257.173
Base-Backbone interact. energy: -0.354
local terms energy: -264.281011
where:
bonds (distance) C4'-P energy: -42.265
bonds (distance) P-C4' energy: -50.873
flat angles C4'-P-C4' energy: -57.175
flat angles P-C4'-P energy: -38.876
tors. eta vs tors. theta energy: -75.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -825.502371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.502371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.502371 (E_RNA)
where:
Base-Base interactions energy: -554.244
where: short stacking energy: -246.936
Base-Backbone interact. energy: -0.271
local terms energy: -270.987436
where:
bonds (distance) C4'-P energy: -49.756
bonds (distance) P-C4' energy: -53.569
flat angles C4'-P-C4' energy: -55.040
flat angles P-C4'-P energy: -43.109
tors. eta vs tors. theta energy: -69.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -782.340937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.340937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.340937 (E_RNA)
where:
Base-Base interactions energy: -541.659
where: short stacking energy: -223.286
Base-Backbone interact. energy: -1.194
local terms energy: -239.487462
where:
bonds (distance) C4'-P energy: -44.255
bonds (distance) P-C4' energy: -53.037
flat angles C4'-P-C4' energy: -48.959
flat angles P-C4'-P energy: -29.302
tors. eta vs tors. theta energy: -63.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -743.960180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.960180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.960180 (E_RNA)
where:
Base-Base interactions energy: -513.850
where: short stacking energy: -209.788
Base-Backbone interact. energy: 1.389
local terms energy: -231.499701
where:
bonds (distance) C4'-P energy: -44.189
bonds (distance) P-C4' energy: -42.685
flat angles C4'-P-C4' energy: -50.131
flat angles P-C4'-P energy: -31.621
tors. eta vs tors. theta energy: -62.873
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: 9
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -732.688085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.688085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.688085 (E_RNA)
where:
Base-Base interactions energy: -481.884
where: short stacking energy: -214.087
Base-Backbone interact. energy: -0.170
local terms energy: -250.634021
where:
bonds (distance) C4'-P energy: -49.548
bonds (distance) P-C4' energy: -48.398
flat angles C4'-P-C4' energy: -48.387
flat angles P-C4'-P energy: -35.823
tors. eta vs tors. theta energy: -68.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -673.788539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.788539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.788539 (E_RNA)
where:
Base-Base interactions energy: -466.108
where: short stacking energy: -178.182
Base-Backbone interact. energy: 6.709
local terms energy: -214.389824
where:
bonds (distance) C4'-P energy: -40.565
bonds (distance) P-C4' energy: -42.294
flat angles C4'-P-C4' energy: -47.101
flat angles P-C4'-P energy: -36.549
tors. eta vs tors. theta energy: -47.880
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: 6
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -238.793390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.793390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.793390 (E_RNA)
where:
Base-Base interactions energy: -102.702
where: short stacking energy: -74.437
Base-Backbone interact. energy: 0.009
local terms energy: -136.100938
where:
bonds (distance) C4'-P energy: -44.064
bonds (distance) P-C4' energy: -35.724
flat angles C4'-P-C4' energy: -25.388
flat angles P-C4'-P energy: -23.989
tors. eta vs tors. theta energy: -6.936
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: 3
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -939.028140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.028140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.028140 (E_RNA)
where:
Base-Base interactions energy: -658.641
where: short stacking energy: -281.770
Base-Backbone interact. energy: -2.090
local terms energy: -278.297176
where:
bonds (distance) C4'-P energy: -54.997
bonds (distance) P-C4' energy: -41.917
flat angles C4'-P-C4' energy: -56.539
flat angles P-C4'-P energy: -44.966
tors. eta vs tors. theta energy: -79.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -871.067715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.067715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.067715 (E_RNA)
where:
Base-Base interactions energy: -609.477
where: short stacking energy: -264.037
Base-Backbone interact. energy: -0.865
local terms energy: -260.725714
where:
bonds (distance) C4'-P energy: -52.901
bonds (distance) P-C4' energy: -45.552
flat angles C4'-P-C4' energy: -56.610
flat angles P-C4'-P energy: -41.638
tors. eta vs tors. theta energy: -64.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -859.797099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.797099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.797099 (E_RNA)
where:
Base-Base interactions energy: -589.770
where: short stacking energy: -266.604
Base-Backbone interact. energy: -0.932
local terms energy: -269.095917
where:
bonds (distance) C4'-P energy: -53.946
bonds (distance) P-C4' energy: -50.204
flat angles C4'-P-C4' energy: -56.315
flat angles P-C4'-P energy: -32.192
tors. eta vs tors. theta energy: -76.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -837.498211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.498211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.498211 (E_RNA)
where:
Base-Base interactions energy: -569.857
where: short stacking energy: -246.883
Base-Backbone interact. energy: -0.843
local terms energy: -266.798258
where:
bonds (distance) C4'-P energy: -46.097
bonds (distance) P-C4' energy: -52.096
flat angles C4'-P-C4' energy: -53.940
flat angles P-C4'-P energy: -41.975
tors. eta vs tors. theta energy: -72.690
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: 1
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -795.662330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.662330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.662330 (E_RNA)
where:
Base-Base interactions energy: -551.481
where: short stacking energy: -256.496
Base-Backbone interact. energy: -0.344
local terms energy: -243.837168
where:
bonds (distance) C4'-P energy: -44.359
bonds (distance) P-C4' energy: -47.383
flat angles C4'-P-C4' energy: -53.427
flat angles P-C4'-P energy: -32.707
tors. eta vs tors. theta energy: -65.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -766.262897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.262897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.262897 (E_RNA)
where:
Base-Base interactions energy: -523.748
where: short stacking energy: -230.531
Base-Backbone interact. energy: -0.372
local terms energy: -242.142313
where:
bonds (distance) C4'-P energy: -46.779
bonds (distance) P-C4' energy: -41.653
flat angles C4'-P-C4' energy: -49.154
flat angles P-C4'-P energy: -33.401
tors. eta vs tors. theta energy: -71.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -751.011401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.011401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.011401 (E_RNA)
where:
Base-Base interactions energy: -505.926
where: short stacking energy: -213.871
Base-Backbone interact. energy: -0.303
local terms energy: -244.782400
where:
bonds (distance) C4'-P energy: -44.013
bonds (distance) P-C4' energy: -41.917
flat angles C4'-P-C4' energy: -49.108
flat angles P-C4'-P energy: -44.655
tors. eta vs tors. theta energy: -65.089
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: 73
Temperature: 1.250000
Total energy: -689.082299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.082299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.082299 (E_RNA)
where:
Base-Base interactions energy: -466.701
where: short stacking energy: -190.297
Base-Backbone interact. energy: -0.673
local terms energy: -221.708259
where:
bonds (distance) C4'-P energy: -43.843
bonds (distance) P-C4' energy: -44.713
flat angles C4'-P-C4' energy: -47.195
flat angles P-C4'-P energy: -30.730
tors. eta vs tors. theta energy: -55.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -717.822318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.822318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.822318 (E_RNA)
where:
Base-Base interactions energy: -502.322
where: short stacking energy: -189.546
Base-Backbone interact. energy: -0.019
local terms energy: -215.481900
where:
bonds (distance) C4'-P energy: -44.455
bonds (distance) P-C4' energy: -43.125
flat angles C4'-P-C4' energy: -48.312
flat angles P-C4'-P energy: -35.965
tors. eta vs tors. theta energy: -43.626
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: 6
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -223.943272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.943272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.943272 (E_RNA)
where:
Base-Base interactions energy: -76.472
where: short stacking energy: -67.353
Base-Backbone interact. energy: 0.601
local terms energy: -148.072417
where:
bonds (distance) C4'-P energy: -36.961
bonds (distance) P-C4' energy: -52.188
flat angles C4'-P-C4' energy: -31.201
flat angles P-C4'-P energy: -25.967
tors. eta vs tors. theta energy: -1.755
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: 74
Temperature: 0.900000
Total energy: -941.360409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.360409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.360409 (E_RNA)
where:
Base-Base interactions energy: -659.211
where: short stacking energy: -290.772
Base-Backbone interact. energy: -1.674
local terms energy: -280.475126
where:
bonds (distance) C4'-P energy: -49.879
bonds (distance) P-C4' energy: -51.738
flat angles C4'-P-C4' energy: -57.246
flat angles P-C4'-P energy: -39.980
tors. eta vs tors. theta energy: -81.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -889.115163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.115163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.115163 (E_RNA)
where:
Base-Base interactions energy: -617.025
where: short stacking energy: -271.172
Base-Backbone interact. energy: -0.729
local terms energy: -271.361435
where:
bonds (distance) C4'-P energy: -53.888
bonds (distance) P-C4' energy: -44.143
flat angles C4'-P-C4' energy: -61.976
flat angles P-C4'-P energy: -37.602
tors. eta vs tors. theta energy: -73.752
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: 8
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -849.187106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.187106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.187106 (E_RNA)
where:
Base-Base interactions energy: -577.317
where: short stacking energy: -258.717
Base-Backbone interact. energy: 0.420
local terms energy: -272.290020
where:
bonds (distance) C4'-P energy: -45.010
bonds (distance) P-C4' energy: -53.803
flat angles C4'-P-C4' energy: -56.097
flat angles P-C4'-P energy: -38.460
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: 4, replica: 5
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -838.458727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.458727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.458727 (E_RNA)
where:
Base-Base interactions energy: -579.342
where: short stacking energy: -247.045
Base-Backbone interact. energy: -0.229
local terms energy: -258.887262
where:
bonds (distance) C4'-P energy: -40.066
bonds (distance) P-C4' energy: -57.078
flat angles C4'-P-C4' energy: -56.682
flat angles P-C4'-P energy: -34.378
tors. eta vs tors. theta energy: -70.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -812.084838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.084838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.084838 (E_RNA)
where:
Base-Base interactions energy: -554.228
where: short stacking energy: -244.314
Base-Backbone interact. energy: -0.310
local terms energy: -257.547042
where:
bonds (distance) C4'-P energy: -39.255
bonds (distance) P-C4' energy: -51.892
flat angles C4'-P-C4' energy: -47.800
flat angles P-C4'-P energy: -38.266
tors. eta vs tors. theta energy: -80.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -759.872265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.872265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.872265 (E_RNA)
where:
Base-Base interactions energy: -513.699
where: short stacking energy: -207.246
Base-Backbone interact. energy: -1.128
local terms energy: -245.045655
where:
bonds (distance) C4'-P energy: -52.736
bonds (distance) P-C4' energy: -52.672
flat angles C4'-P-C4' energy: -51.598
flat angles P-C4'-P energy: -27.736
tors. eta vs tors. theta energy: -60.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -785.084676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.084676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.084676 (E_RNA)
where:
Base-Base interactions energy: -550.970
where: short stacking energy: -212.104
Base-Backbone interact. energy: -0.239
local terms energy: -233.875371
where:
bonds (distance) C4'-P energy: -37.999
bonds (distance) P-C4' energy: -46.982
flat angles C4'-P-C4' energy: -55.934
flat angles P-C4'-P energy: -29.200
tors. eta vs tors. theta energy: -63.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -659.186998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.186998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.186998 (E_RNA)
where:
Base-Base interactions energy: -450.118
where: short stacking energy: -185.883
Base-Backbone interact. energy: -0.057
local terms energy: -209.011585
where:
bonds (distance) C4'-P energy: -47.603
bonds (distance) P-C4' energy: -37.635
flat angles C4'-P-C4' energy: -45.835
flat angles P-C4'-P energy: -31.732
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: 9, replica: 9
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -708.362048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.362048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.362048 (E_RNA)
where:
Base-Base interactions energy: -474.700
where: short stacking energy: -207.657
Base-Backbone interact. energy: 0.214
local terms energy: -233.875804
where:
bonds (distance) C4'-P energy: -50.678
bonds (distance) P-C4' energy: -41.765
flat angles C4'-P-C4' energy: -48.730
flat angles P-C4'-P energy: -35.204
tors. eta vs tors. theta energy: -57.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -232.930317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.930317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.930317 (E_RNA)
where:
Base-Base interactions energy: -88.382
where: short stacking energy: -71.009
Base-Backbone interact. energy: -0.608
local terms energy: -143.940167
where:
bonds (distance) C4'-P energy: -47.572
bonds (distance) P-C4' energy: -48.027
flat angles C4'-P-C4' energy: -32.285
flat angles P-C4'-P energy: -21.500
tors. eta vs tors. theta energy: 5.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -945.832789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.832789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.832789 (E_RNA)
where:
Base-Base interactions energy: -667.778
where: short stacking energy: -274.207
Base-Backbone interact. energy: -1.367
local terms energy: -276.688303
where:
bonds (distance) C4'-P energy: -40.121
bonds (distance) P-C4' energy: -56.638
flat angles C4'-P-C4' energy: -59.402
flat angles P-C4'-P energy: -42.582
tors. eta vs tors. theta energy: -77.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -883.882973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.882973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.882973 (E_RNA)
where:
Base-Base interactions energy: -599.833
where: short stacking energy: -246.316
Base-Backbone interact. energy: -3.442
local terms energy: -280.607932
where:
bonds (distance) C4'-P energy: -57.192
bonds (distance) P-C4' energy: -53.482
flat angles C4'-P-C4' energy: -56.152
flat angles P-C4'-P energy: -43.246
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: 3, replica: 8
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -877.944794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.944794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.944794 (E_RNA)
where:
Base-Base interactions energy: -591.089
where: short stacking energy: -272.816
Base-Backbone interact. energy: -0.454
local terms energy: -286.401469
where:
bonds (distance) C4'-P energy: -53.387
bonds (distance) P-C4' energy: -52.752
flat angles C4'-P-C4' energy: -66.816
flat angles P-C4'-P energy: -35.500
tors. eta vs tors. theta energy: -77.946
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: 4, replica: 5
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -833.862300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.862300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.862300 (E_RNA)
where:
Base-Base interactions energy: -571.987
where: short stacking energy: -246.042
Base-Backbone interact. energy: 0.483
local terms energy: -262.357937
where:
bonds (distance) C4'-P energy: -46.422
bonds (distance) P-C4' energy: -46.336
flat angles C4'-P-C4' energy: -62.157
flat angles P-C4'-P energy: -31.815
tors. eta vs tors. theta energy: -75.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -818.953629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.953629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.953629 (E_RNA)
where:
Base-Base interactions energy: -546.766
where: short stacking energy: -239.615
Base-Backbone interact. energy: -1.314
local terms energy: -270.873991
where:
bonds (distance) C4'-P energy: -50.175
bonds (distance) P-C4' energy: -51.367
flat angles C4'-P-C4' energy: -57.744
flat angles P-C4'-P energy: -39.138
tors. eta vs tors. theta energy: -72.450
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: 6, replica: 10
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -769.310854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.310854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.310854 (E_RNA)
where:
Base-Base interactions energy: -525.313
where: short stacking energy: -220.747
Base-Backbone interact. energy: -2.269
local terms energy: -241.728691
where:
bonds (distance) C4'-P energy: -49.167
bonds (distance) P-C4' energy: -52.308
flat angles C4'-P-C4' energy: -51.949
flat angles P-C4'-P energy: -29.146
tors. eta vs tors. theta energy: -59.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -760.159263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.159263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.159263 (E_RNA)
where:
Base-Base interactions energy: -514.978
where: short stacking energy: -211.732
Base-Backbone interact. energy: -0.741
local terms energy: -244.439522
where:
bonds (distance) C4'-P energy: -53.098
bonds (distance) P-C4' energy: -44.808
flat angles C4'-P-C4' energy: -49.912
flat angles P-C4'-P energy: -36.063
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: 8, replica: 4
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -658.197226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.197226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.197226 (E_RNA)
where:
Base-Base interactions energy: -443.375
where: short stacking energy: -175.564
Base-Backbone interact. energy: 0.157
local terms energy: -214.979047
where:
bonds (distance) C4'-P energy: -52.304
bonds (distance) P-C4' energy: -51.938
flat angles C4'-P-C4' energy: -35.711
flat angles P-C4'-P energy: -29.417
tors. eta vs tors. theta energy: -45.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -586.553755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.553755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.553755 (E_RNA)
where:
Base-Base interactions energy: -358.615
where: short stacking energy: -151.747
Base-Backbone interact. energy: -1.079
local terms energy: -226.860444
where:
bonds (distance) C4'-P energy: -57.351
bonds (distance) P-C4' energy: -46.117
flat angles C4'-P-C4' energy: -43.257
flat angles P-C4'-P energy: -31.655
tors. eta vs tors. theta energy: -48.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -237.777111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.777111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.777111 (E_RNA)
where:
Base-Base interactions energy: -99.335
where: short stacking energy: -69.377
Base-Backbone interact. energy: 0.291
local terms energy: -138.732854
where:
bonds (distance) C4'-P energy: -39.460
bonds (distance) P-C4' energy: -47.726
flat angles C4'-P-C4' energy: -44.320
flat angles P-C4'-P energy: -15.874
tors. eta vs tors. theta energy: 8.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -927.632011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.632011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.632011 (E_RNA)
where:
Base-Base interactions energy: -648.549
where: short stacking energy: -254.156
Base-Backbone interact. energy: -1.185
local terms energy: -277.897214
where:
bonds (distance) C4'-P energy: -55.554
bonds (distance) P-C4' energy: -54.416
flat angles C4'-P-C4' energy: -58.424
flat angles P-C4'-P energy: -38.101
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: 2, replica: 2
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -891.096448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.096448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.096448 (E_RNA)
where:
Base-Base interactions energy: -621.682
where: short stacking energy: -251.958
Base-Backbone interact. energy: 1.803
local terms energy: -271.217197
where:
bonds (distance) C4'-P energy: -48.039
bonds (distance) P-C4' energy: -53.121
flat angles C4'-P-C4' energy: -55.554
flat angles P-C4'-P energy: -42.829
tors. eta vs tors. theta energy: -71.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -864.376873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.376873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.376873 (E_RNA)
where:
Base-Base interactions energy: -591.084
where: short stacking energy: -267.177
Base-Backbone interact. energy: -0.880
local terms energy: -272.413616
where:
bonds (distance) C4'-P energy: -48.957
bonds (distance) P-C4' energy: -43.432
flat angles C4'-P-C4' energy: -57.912
flat angles P-C4'-P energy: -41.315
tors. eta vs tors. theta energy: -80.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -828.249659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.249659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.249659 (E_RNA)
where:
Base-Base interactions energy: -574.897
where: short stacking energy: -233.655
Base-Backbone interact. energy: -0.695
local terms energy: -252.658243
where:
bonds (distance) C4'-P energy: -48.387
bonds (distance) P-C4' energy: -52.685
flat angles C4'-P-C4' energy: -58.339
flat angles P-C4'-P energy: -32.357
tors. eta vs tors. theta energy: -60.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -814.779672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.779672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.779672 (E_RNA)
where:
Base-Base interactions energy: -559.165
where: short stacking energy: -233.698
Base-Backbone interact. energy: -1.143
local terms energy: -254.472465
where:
bonds (distance) C4'-P energy: -40.089
bonds (distance) P-C4' energy: -48.393
flat angles C4'-P-C4' energy: -57.090
flat angles P-C4'-P energy: -40.073
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: 6, replica: 10
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -732.769346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.769346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.769346 (E_RNA)
where:
Base-Base interactions energy: -499.632
where: short stacking energy: -207.872
Base-Backbone interact. energy: -1.681
local terms energy: -231.455966
where:
bonds (distance) C4'-P energy: -51.488
bonds (distance) P-C4' energy: -45.544
flat angles C4'-P-C4' energy: -44.508
flat angles P-C4'-P energy: -31.736
tors. eta vs tors. theta energy: -58.181
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: 76
Temperature: 1.200000
Total energy: -782.673769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.673769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.673769 (E_RNA)
where:
Base-Base interactions energy: -546.301
where: short stacking energy: -218.508
Base-Backbone interact. energy: 0.157
local terms energy: -236.530322
where:
bonds (distance) C4'-P energy: -42.210
bonds (distance) P-C4' energy: -53.018
flat angles C4'-P-C4' energy: -58.201
flat angles P-C4'-P energy: -26.892
tors. eta vs tors. theta energy: -56.210
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: 76
Temperature: 1.250000
Total energy: -643.258105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.258105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.258105 (E_RNA)
where:
Base-Base interactions energy: -434.313
where: short stacking energy: -181.365
Base-Backbone interact. energy: -0.846
local terms energy: -208.099272
where:
bonds (distance) C4'-P energy: -39.218
bonds (distance) P-C4' energy: -48.053
flat angles C4'-P-C4' energy: -52.677
flat angles P-C4'-P energy: -28.757
tors. eta vs tors. theta energy: -39.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -535.096665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.096665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.096665 (E_RNA)
where:
Base-Base interactions energy: -336.002
where: short stacking energy: -152.372
Base-Backbone interact. energy: -0.313
local terms energy: -198.782463
where:
bonds (distance) C4'-P energy: -32.636
bonds (distance) P-C4' energy: -48.126
flat angles C4'-P-C4' energy: -46.363
flat angles P-C4'-P energy: -30.411
tors. eta vs tors. theta energy: -41.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -232.280143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.280143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.280143 (E_RNA)
where:
Base-Base interactions energy: -74.372
where: short stacking energy: -73.092
Base-Backbone interact. energy: -0.302
local terms energy: -157.605523
where:
bonds (distance) C4'-P energy: -42.845
bonds (distance) P-C4' energy: -48.593
flat angles C4'-P-C4' energy: -48.005
flat angles P-C4'-P energy: -20.222
tors. eta vs tors. theta energy: 2.059
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: 77
Temperature: 0.900000
Total energy: -931.380062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.380062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.380062 (E_RNA)
where:
Base-Base interactions energy: -660.308
where: short stacking energy: -277.962
Base-Backbone interact. energy: -1.935
local terms energy: -269.137225
where:
bonds (distance) C4'-P energy: -50.878
bonds (distance) P-C4' energy: -57.210
flat angles C4'-P-C4' energy: -46.575
flat angles P-C4'-P energy: -39.166
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: 2, replica: 2
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -874.554123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.554123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.554123 (E_RNA)
where:
Base-Base interactions energy: -609.630
where: short stacking energy: -262.931
Base-Backbone interact. energy: -0.951
local terms energy: -263.973277
where:
bonds (distance) C4'-P energy: -48.085
bonds (distance) P-C4' energy: -52.342
flat angles C4'-P-C4' energy: -55.426
flat angles P-C4'-P energy: -35.941
tors. eta vs tors. theta energy: -72.179
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: 8
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -878.515929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.515929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.515929 (E_RNA)
where:
Base-Base interactions energy: -607.196
where: short stacking energy: -259.403
Base-Backbone interact. energy: -1.457
local terms energy: -269.862304
where:
bonds (distance) C4'-P energy: -47.975
bonds (distance) P-C4' energy: -46.713
flat angles C4'-P-C4' energy: -59.982
flat angles P-C4'-P energy: -30.285
tors. eta vs tors. theta energy: -84.906
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: 1
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -853.806018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.806018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.806018 (E_RNA)
where:
Base-Base interactions energy: -580.151
where: short stacking energy: -273.859
Base-Backbone interact. energy: -0.973
local terms energy: -272.681767
where:
bonds (distance) C4'-P energy: -48.318
bonds (distance) P-C4' energy: -52.506
flat angles C4'-P-C4' energy: -61.769
flat angles P-C4'-P energy: -34.504
tors. eta vs tors. theta energy: -75.585
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: 5
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -814.240469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.240469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.240469 (E_RNA)
where:
Base-Base interactions energy: -556.849
where: short stacking energy: -228.622
Base-Backbone interact. energy: -0.106
local terms energy: -257.286140
where:
bonds (distance) C4'-P energy: -37.607
bonds (distance) P-C4' energy: -59.945
flat angles C4'-P-C4' energy: -55.824
flat angles P-C4'-P energy: -40.159
tors. eta vs tors. theta energy: -63.751
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: 7
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -792.021158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.021158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.021158 (E_RNA)
where:
Base-Base interactions energy: -539.665
where: short stacking energy: -225.564
Base-Backbone interact. energy: -0.916
local terms energy: -251.440141
where:
bonds (distance) C4'-P energy: -44.274
bonds (distance) P-C4' energy: -52.177
flat angles C4'-P-C4' energy: -47.821
flat angles P-C4'-P energy: -36.493
tors. eta vs tors. theta energy: -70.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -717.719788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.719788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.719788 (E_RNA)
where:
Base-Base interactions energy: -503.414
where: short stacking energy: -224.665
Base-Backbone interact. energy: -1.568
local terms energy: -212.737618
where:
bonds (distance) C4'-P energy: -34.572
bonds (distance) P-C4' energy: -40.033
flat angles C4'-P-C4' energy: -52.196
flat angles P-C4'-P energy: -23.471
tors. eta vs tors. theta energy: -62.466
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: 8, replica: 4
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -677.929734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.929734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.929734 (E_RNA)
where:
Base-Base interactions energy: -464.454
where: short stacking energy: -189.380
Base-Backbone interact. energy: -1.544
local terms energy: -211.931747
where:
bonds (distance) C4'-P energy: -44.432
bonds (distance) P-C4' energy: -43.893
flat angles C4'-P-C4' energy: -47.727
flat angles P-C4'-P energy: -26.895
tors. eta vs tors. theta energy: -48.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -551.909478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.909478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.909478 (E_RNA)
where:
Base-Base interactions energy: -342.972
where: short stacking energy: -158.263
Base-Backbone interact. energy: 2.712
local terms energy: -211.649356
where:
bonds (distance) C4'-P energy: -38.143
bonds (distance) P-C4' energy: -57.846
flat angles C4'-P-C4' energy: -49.718
flat angles P-C4'-P energy: -22.973
tors. eta vs tors. theta energy: -42.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -231.833968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.833968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.833968 (E_RNA)
where:
Base-Base interactions energy: -76.475
where: short stacking energy: -76.364
Base-Backbone interact. energy: 0.120
local terms energy: -155.479344
where:
bonds (distance) C4'-P energy: -51.801
bonds (distance) P-C4' energy: -45.456
flat angles C4'-P-C4' energy: -35.217
flat angles P-C4'-P energy: -25.526
tors. eta vs tors. theta energy: 2.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -931.445119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.445119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.445119 (E_RNA)
where:
Base-Base interactions energy: -645.940
where: short stacking energy: -265.223
Base-Backbone interact. energy: -1.465
local terms energy: -284.040146
where:
bonds (distance) C4'-P energy: -53.710
bonds (distance) P-C4' energy: -55.121
flat angles C4'-P-C4' energy: -60.694
flat angles P-C4'-P energy: -45.093
tors. eta vs tors. theta energy: -69.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -888.454186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.454186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.454186 (E_RNA)
where:
Base-Base interactions energy: -608.511
where: short stacking energy: -252.158
Base-Backbone interact. energy: -0.332
local terms energy: -279.611341
where:
bonds (distance) C4'-P energy: -54.949
bonds (distance) P-C4' energy: -53.499
flat angles C4'-P-C4' energy: -60.116
flat angles P-C4'-P energy: -39.865
tors. eta vs tors. theta energy: -71.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -880.774910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.774910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.774910 (E_RNA)
where:
Base-Base interactions energy: -603.441
where: short stacking energy: -265.176
Base-Backbone interact. energy: -1.276
local terms energy: -276.058097
where:
bonds (distance) C4'-P energy: -51.105
bonds (distance) P-C4' energy: -45.936
flat angles C4'-P-C4' energy: -55.520
flat angles P-C4'-P energy: -38.964
tors. eta vs tors. theta energy: -84.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -823.064531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.064531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.064531 (E_RNA)
where:
Base-Base interactions energy: -560.122
where: short stacking energy: -250.722
Base-Backbone interact. energy: -0.345
local terms energy: -262.597061
where:
bonds (distance) C4'-P energy: -50.306
bonds (distance) P-C4' energy: -45.352
flat angles C4'-P-C4' energy: -58.458
flat angles P-C4'-P energy: -33.362
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: 5, replica: 7
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -828.454673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.454673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.454673 (E_RNA)
where:
Base-Base interactions energy: -570.311
where: short stacking energy: -237.615
Base-Backbone interact. energy: -1.377
local terms energy: -256.766378
where:
bonds (distance) C4'-P energy: -39.869
bonds (distance) P-C4' energy: -50.482
flat angles C4'-P-C4' energy: -58.650
flat angles P-C4'-P energy: -39.681
tors. eta vs tors. theta energy: -68.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -774.979819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.979819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.979819 (E_RNA)
where:
Base-Base interactions energy: -533.930
where: short stacking energy: -234.494
Base-Backbone interact. energy: 1.859
local terms energy: -242.908742
where:
bonds (distance) C4'-P energy: -43.835
bonds (distance) P-C4' energy: -50.369
flat angles C4'-P-C4' energy: -61.161
flat angles P-C4'-P energy: -26.437
tors. eta vs tors. theta energy: -61.106
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: 4
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -684.719110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.719110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.719110 (E_RNA)
where:
Base-Base interactions energy: -472.468
where: short stacking energy: -183.109
Base-Backbone interact. energy: -0.892
local terms energy: -211.358761
where:
bonds (distance) C4'-P energy: -41.296
bonds (distance) P-C4' energy: -45.342
flat angles C4'-P-C4' energy: -44.250
flat angles P-C4'-P energy: -30.695
tors. eta vs tors. theta energy: -49.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -682.013951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.013951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.013951 (E_RNA)
where:
Base-Base interactions energy: -470.277
where: short stacking energy: -194.658
Base-Backbone interact. energy: 0.738
local terms energy: -212.474558
where:
bonds (distance) C4'-P energy: -38.355
bonds (distance) P-C4' energy: -53.439
flat angles C4'-P-C4' energy: -35.593
flat angles P-C4'-P energy: -30.747
tors. eta vs tors. theta energy: -54.341
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: 78
Temperature: 1.300000
Total energy: -422.151749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.151749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.151749 (E_RNA)
where:
Base-Base interactions energy: -256.510
where: short stacking energy: -114.520
Base-Backbone interact. energy: -1.835
local terms energy: -163.807077
where:
bonds (distance) C4'-P energy: -44.221
bonds (distance) P-C4' energy: -42.514
flat angles C4'-P-C4' energy: -34.429
flat angles P-C4'-P energy: -26.614
tors. eta vs tors. theta energy: -16.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -226.067563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.067563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.067563 (E_RNA)
where:
Base-Base interactions energy: -77.010
where: short stacking energy: -66.692
Base-Backbone interact. energy: 0.849
local terms energy: -149.906928
where:
bonds (distance) C4'-P energy: -40.118
bonds (distance) P-C4' energy: -43.867
flat angles C4'-P-C4' energy: -38.091
flat angles P-C4'-P energy: -33.117
tors. eta vs tors. theta energy: 5.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -957.808880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.808880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.808880 (E_RNA)
where:
Base-Base interactions energy: -664.259
where: short stacking energy: -262.971
Base-Backbone interact. energy: -1.089
local terms energy: -292.460909
where:
bonds (distance) C4'-P energy: -55.755
bonds (distance) P-C4' energy: -56.908
flat angles C4'-P-C4' energy: -57.663
flat angles P-C4'-P energy: -45.869
tors. eta vs tors. theta energy: -76.266
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: 2, replica: 8
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -901.597856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.597856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.597856 (E_RNA)
where:
Base-Base interactions energy: -617.079
where: short stacking energy: -258.947
Base-Backbone interact. energy: -0.463
local terms energy: -284.056030
where:
bonds (distance) C4'-P energy: -49.517
bonds (distance) P-C4' energy: -52.897
flat angles C4'-P-C4' energy: -61.171
flat angles P-C4'-P energy: -38.271
tors. eta vs tors. theta energy: -82.199
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: 2
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -881.568510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.568510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.568510 (E_RNA)
where:
Base-Base interactions energy: -602.344
where: short stacking energy: -249.189
Base-Backbone interact. energy: 0.238
local terms energy: -279.463012
where:
bonds (distance) C4'-P energy: -50.701
bonds (distance) P-C4' energy: -54.797
flat angles C4'-P-C4' energy: -61.083
flat angles P-C4'-P energy: -42.427
tors. eta vs tors. theta energy: -70.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -843.376723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.376723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.376723 (E_RNA)
where:
Base-Base interactions energy: -563.373
where: short stacking energy: -241.384
Base-Backbone interact. energy: -0.542
local terms energy: -279.462496
where:
bonds (distance) C4'-P energy: -46.952
bonds (distance) P-C4' energy: -54.960
flat angles C4'-P-C4' energy: -57.181
flat angles P-C4'-P energy: -45.357
tors. eta vs tors. theta energy: -75.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -820.750486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.750486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.750486 (E_RNA)
where:
Base-Base interactions energy: -559.114
where: short stacking energy: -249.889
Base-Backbone interact. energy: 1.830
local terms energy: -263.465999
where:
bonds (distance) C4'-P energy: -49.612
bonds (distance) P-C4' energy: -56.901
flat angles C4'-P-C4' energy: -52.664
flat angles P-C4'-P energy: -32.775
tors. eta vs tors. theta energy: -71.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -786.741894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.741894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.741894 (E_RNA)
where:
Base-Base interactions energy: -563.726
where: short stacking energy: -237.903
Base-Backbone interact. energy: -1.394
local terms energy: -221.621981
where:
bonds (distance) C4'-P energy: -38.441
bonds (distance) P-C4' energy: -49.193
flat angles C4'-P-C4' energy: -44.365
flat angles P-C4'-P energy: -29.764
tors. eta vs tors. theta energy: -59.860
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: 79
Temperature: 1.200000
Total energy: -694.939529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.939529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.939529 (E_RNA)
where:
Base-Base interactions energy: -479.501
where: short stacking energy: -204.897
Base-Backbone interact. energy: -0.346
local terms energy: -215.093140
where:
bonds (distance) C4'-P energy: -48.147
bonds (distance) P-C4' energy: -45.180
flat angles C4'-P-C4' energy: -49.833
flat angles P-C4'-P energy: -17.817
tors. eta vs tors. theta energy: -54.116
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: 10
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -700.829570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.829570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.829570 (E_RNA)
where:
Base-Base interactions energy: -473.023
where: short stacking energy: -203.977
Base-Backbone interact. energy: -0.426
local terms energy: -227.379887
where:
bonds (distance) C4'-P energy: -34.491
bonds (distance) P-C4' energy: -47.556
flat angles C4'-P-C4' energy: -46.923
flat angles P-C4'-P energy: -37.638
tors. eta vs tors. theta energy: -60.772
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: 9
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -427.643949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.643949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.643949 (E_RNA)
where:
Base-Base interactions energy: -256.827
where: short stacking energy: -119.566
Base-Backbone interact. energy: -0.251
local terms energy: -170.565654
where:
bonds (distance) C4'-P energy: -54.835
bonds (distance) P-C4' energy: -41.093
flat angles C4'-P-C4' energy: -41.734
flat angles P-C4'-P energy: -15.458
tors. eta vs tors. theta energy: -17.446
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: 6
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -213.421388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.421388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.421388 (E_RNA)
where:
Base-Base interactions energy: -88.025
where: short stacking energy: -65.120
Base-Backbone interact. energy: -1.131
local terms energy: -124.265572
where:
bonds (distance) C4'-P energy: -21.197
bonds (distance) P-C4' energy: -49.110
flat angles C4'-P-C4' energy: -35.323
flat angles P-C4'-P energy: -17.895
tors. eta vs tors. theta energy: -0.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -939.542289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.542289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.542289 (E_RNA)
where:
Base-Base interactions energy: -662.028
where: short stacking energy: -265.920
Base-Backbone interact. energy: -2.671
local terms energy: -274.842590
where:
bonds (distance) C4'-P energy: -53.535
bonds (distance) P-C4' energy: -51.033
flat angles C4'-P-C4' energy: -60.505
flat angles P-C4'-P energy: -40.428
tors. eta vs tors. theta energy: -69.343
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: 8
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -896.353909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.353909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.353909 (E_RNA)
where:
Base-Base interactions energy: -621.016
where: short stacking energy: -269.997
Base-Backbone interact. energy: 0.302
local terms energy: -275.639759
where:
bonds (distance) C4'-P energy: -48.583
bonds (distance) P-C4' energy: -53.215
flat angles C4'-P-C4' energy: -59.374
flat angles P-C4'-P energy: -33.762
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: 3, replica: 7
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -851.390033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.390033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.390033 (E_RNA)
where:
Base-Base interactions energy: -584.498
where: short stacking energy: -249.976
Base-Backbone interact. energy: -0.691
local terms energy: -266.200986
where:
bonds (distance) C4'-P energy: -51.151
bonds (distance) P-C4' energy: -51.744
flat angles C4'-P-C4' energy: -49.256
flat angles P-C4'-P energy: -39.323
tors. eta vs tors. theta energy: -74.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -847.027102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.027102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.027102 (E_RNA)
where:
Base-Base interactions energy: -592.468
where: short stacking energy: -233.860
Base-Backbone interact. energy: -1.428
local terms energy: -253.131177
where:
bonds (distance) C4'-P energy: -46.036
bonds (distance) P-C4' energy: -49.055
flat angles C4'-P-C4' energy: -57.783
flat angles P-C4'-P energy: -38.485
tors. eta vs tors. theta energy: -61.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -823.975004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.975004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.975004 (E_RNA)
where:
Base-Base interactions energy: -566.038
where: short stacking energy: -241.290
Base-Backbone interact. energy: -0.823
local terms energy: -257.113821
where:
bonds (distance) C4'-P energy: -50.229
bonds (distance) P-C4' energy: -50.205
flat angles C4'-P-C4' energy: -52.485
flat angles P-C4'-P energy: -39.702
tors. eta vs tors. theta energy: -64.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -778.944399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.944399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.944399 (E_RNA)
where:
Base-Base interactions energy: -547.338
where: short stacking energy: -241.134
Base-Backbone interact. energy: -1.896
local terms energy: -229.709525
where:
bonds (distance) C4'-P energy: -44.357
bonds (distance) P-C4' energy: -37.627
flat angles C4'-P-C4' energy: -52.639
flat angles P-C4'-P energy: -37.109
tors. eta vs tors. theta energy: -57.977
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: 80
Temperature: 1.200000
Total energy: -717.098262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.098262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.098262 (E_RNA)
where:
Base-Base interactions energy: -484.988
where: short stacking energy: -202.826
Base-Backbone interact. energy: -1.590
local terms energy: -230.519986
where:
bonds (distance) C4'-P energy: -43.591
bonds (distance) P-C4' energy: -42.841
flat angles C4'-P-C4' energy: -62.029
flat angles P-C4'-P energy: -26.901
tors. eta vs tors. theta energy: -55.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -665.410959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.410959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.410959 (E_RNA)
where:
Base-Base interactions energy: -460.461
where: short stacking energy: -191.911
Base-Backbone interact. energy: 0.618
local terms energy: -205.567254
where:
bonds (distance) C4'-P energy: -40.185
bonds (distance) P-C4' energy: -37.633
flat angles C4'-P-C4' energy: -47.703
flat angles P-C4'-P energy: -30.763
tors. eta vs tors. theta energy: -49.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -420.897984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.897984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.897984 (E_RNA)
where:
Base-Base interactions energy: -254.297
where: short stacking energy: -119.471
Base-Backbone interact. energy: 1.977
local terms energy: -168.578510
where:
bonds (distance) C4'-P energy: -39.249
bonds (distance) P-C4' energy: -47.565
flat angles C4'-P-C4' energy: -44.985
flat angles P-C4'-P energy: -20.538
tors. eta vs tors. theta energy: -16.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -231.170303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.170303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.170303 (E_RNA)
where:
Base-Base interactions energy: -87.401
where: short stacking energy: -58.219
Base-Backbone interact. energy: 1.179
local terms energy: -144.948154
where:
bonds (distance) C4'-P energy: -45.318
bonds (distance) P-C4' energy: -44.637
flat angles C4'-P-C4' energy: -39.718
flat angles P-C4'-P energy: -25.799
tors. eta vs tors. theta energy: 10.524
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: 3
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -931.374407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.374407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.374407 (E_RNA)
where:
Base-Base interactions energy: -649.458
where: short stacking energy: -262.055
Base-Backbone interact. energy: -1.584
local terms energy: -280.332402
where:
bonds (distance) C4'-P energy: -52.820
bonds (distance) P-C4' energy: -52.604
flat angles C4'-P-C4' energy: -61.971
flat angles P-C4'-P energy: -41.252
tors. eta vs tors. theta energy: -71.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -898.828295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.828295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.828295 (E_RNA)
where:
Base-Base interactions energy: -618.650
where: short stacking energy: -268.669
Base-Backbone interact. energy: -0.581
local terms energy: -279.597276
where:
bonds (distance) C4'-P energy: -50.507
bonds (distance) P-C4' energy: -48.996
flat angles C4'-P-C4' energy: -62.049
flat angles P-C4'-P energy: -38.790
tors. eta vs tors. theta energy: -79.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -884.992601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.992601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.992601 (E_RNA)
where:
Base-Base interactions energy: -602.899
where: short stacking energy: -262.184
Base-Backbone interact. energy: -0.480
local terms energy: -281.613803
where:
bonds (distance) C4'-P energy: -53.037
bonds (distance) P-C4' energy: -52.377
flat angles C4'-P-C4' energy: -58.718
flat angles P-C4'-P energy: -40.271
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: 4, replica: 5
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -842.467004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.467004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.467004 (E_RNA)
where:
Base-Base interactions energy: -601.260
where: short stacking energy: -247.059
Base-Backbone interact. energy: -0.748
local terms energy: -240.459199
where:
bonds (distance) C4'-P energy: -42.922
bonds (distance) P-C4' energy: -44.799
flat angles C4'-P-C4' energy: -51.747
flat angles P-C4'-P energy: -32.635
tors. eta vs tors. theta energy: -68.356
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: 2
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -835.727836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.727836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.727836 (E_RNA)
where:
Base-Base interactions energy: -576.682
where: short stacking energy: -245.712
Base-Backbone interact. energy: 1.122
local terms energy: -260.167703
where:
bonds (distance) C4'-P energy: -49.383
bonds (distance) P-C4' energy: -49.087
flat angles C4'-P-C4' energy: -56.459
flat angles P-C4'-P energy: -32.410
tors. eta vs tors. theta energy: -72.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -764.049275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.049275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.049275 (E_RNA)
where:
Base-Base interactions energy: -529.739
where: short stacking energy: -213.764
Base-Backbone interact. energy: 0.191
local terms energy: -234.500526
where:
bonds (distance) C4'-P energy: -53.545
bonds (distance) P-C4' energy: -44.951
flat angles C4'-P-C4' energy: -55.465
flat angles P-C4'-P energy: -30.071
tors. eta vs tors. theta energy: -50.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -757.824673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.824673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.824673 (E_RNA)
where:
Base-Base interactions energy: -521.981
where: short stacking energy: -220.338
Base-Backbone interact. energy: -2.929
local terms energy: -232.915161
where:
bonds (distance) C4'-P energy: -44.244
bonds (distance) P-C4' energy: -56.471
flat angles C4'-P-C4' energy: -50.184
flat angles P-C4'-P energy: -18.304
tors. eta vs tors. theta energy: -63.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -657.348461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.348461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.348461 (E_RNA)
where:
Base-Base interactions energy: -444.932
where: short stacking energy: -193.392
Base-Backbone interact. energy: -0.312
local terms energy: -212.104057
where:
bonds (distance) C4'-P energy: -41.559
bonds (distance) P-C4' energy: -32.224
flat angles C4'-P-C4' energy: -53.532
flat angles P-C4'-P energy: -39.698
tors. eta vs tors. theta energy: -45.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -463.983939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.983939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.983939 (E_RNA)
where:
Base-Base interactions energy: -263.106
where: short stacking energy: -131.562
Base-Backbone interact. energy: -0.627
local terms energy: -200.251368
where:
bonds (distance) C4'-P energy: -53.035
bonds (distance) P-C4' energy: -46.089
flat angles C4'-P-C4' energy: -51.087
flat angles P-C4'-P energy: -29.229
tors. eta vs tors. theta energy: -20.812
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: 10, replica: 6
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -217.864043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.864043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.864043 (E_RNA)
where:
Base-Base interactions energy: -66.661
where: short stacking energy: -53.818
Base-Backbone interact. energy: -1.174
local terms energy: -150.029059
where:
bonds (distance) C4'-P energy: -45.827
bonds (distance) P-C4' energy: -51.984
flat angles C4'-P-C4' energy: -36.211
flat angles P-C4'-P energy: -29.309
tors. eta vs tors. theta energy: 13.302
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: 82
Temperature: 0.900000
Total energy: -921.850479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.850479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.850479 (E_RNA)
where:
Base-Base interactions energy: -649.869
where: short stacking energy: -270.410
Base-Backbone interact. energy: -0.281
local terms energy: -271.700431
where:
bonds (distance) C4'-P energy: -49.306
bonds (distance) P-C4' energy: -53.873
flat angles C4'-P-C4' energy: -59.772
flat angles P-C4'-P energy: -41.781
tors. eta vs tors. theta energy: -66.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -902.201210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.201210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.201210 (E_RNA)
where:
Base-Base interactions energy: -621.542
where: short stacking energy: -273.043
Base-Backbone interact. energy: -0.165
local terms energy: -280.493763
where:
bonds (distance) C4'-P energy: -49.616
bonds (distance) P-C4' energy: -51.944
flat angles C4'-P-C4' energy: -61.842
flat angles P-C4'-P energy: -41.529
tors. eta vs tors. theta energy: -75.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -854.558850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.558850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.558850 (E_RNA)
where:
Base-Base interactions energy: -594.580
where: short stacking energy: -237.626
Base-Backbone interact. energy: 1.513
local terms energy: -261.491970
where:
bonds (distance) C4'-P energy: -45.771
bonds (distance) P-C4' energy: -50.625
flat angles C4'-P-C4' energy: -56.543
flat angles P-C4'-P energy: -37.115
tors. eta vs tors. theta energy: -71.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -842.372385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.372385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.372385 (E_RNA)
where:
Base-Base interactions energy: -583.940
where: short stacking energy: -250.955
Base-Backbone interact. energy: -1.158
local terms energy: -257.273588
where:
bonds (distance) C4'-P energy: -51.071
bonds (distance) P-C4' energy: -49.155
flat angles C4'-P-C4' energy: -48.339
flat angles P-C4'-P energy: -37.443
tors. eta vs tors. theta energy: -71.266
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: 2
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -858.460650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.460650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.460650 (E_RNA)
where:
Base-Base interactions energy: -601.359
where: short stacking energy: -255.844
Base-Backbone interact. energy: -0.637
local terms energy: -256.465576
where:
bonds (distance) C4'-P energy: -49.809
bonds (distance) P-C4' energy: -43.029
flat angles C4'-P-C4' energy: -56.923
flat angles P-C4'-P energy: -36.044
tors. eta vs tors. theta energy: -70.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -729.367161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.367161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.367161 (E_RNA)
where:
Base-Base interactions energy: -515.120
where: short stacking energy: -205.051
Base-Backbone interact. energy: -0.738
local terms energy: -213.508739
where:
bonds (distance) C4'-P energy: -34.820
bonds (distance) P-C4' energy: -50.738
flat angles C4'-P-C4' energy: -55.353
flat angles P-C4'-P energy: -24.667
tors. eta vs tors. theta energy: -47.931
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: 10
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -699.409932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.409932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.409932 (E_RNA)
where:
Base-Base interactions energy: -480.815
where: short stacking energy: -201.542
Base-Backbone interact. energy: -0.321
local terms energy: -218.273870
where:
bonds (distance) C4'-P energy: -48.243
bonds (distance) P-C4' energy: -40.969
flat angles C4'-P-C4' energy: -51.878
flat angles P-C4'-P energy: -36.742
tors. eta vs tors. theta energy: -40.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -728.713166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.713166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.713166 (E_RNA)
where:
Base-Base interactions energy: -507.978
where: short stacking energy: -219.891
Base-Backbone interact. energy: 5.320
local terms energy: -226.054556
where:
bonds (distance) C4'-P energy: -40.120
bonds (distance) P-C4' energy: -38.124
flat angles C4'-P-C4' energy: -49.736
flat angles P-C4'-P energy: -38.569
tors. eta vs tors. theta energy: -59.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -423.546588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.546588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.546588 (E_RNA)
where:
Base-Base interactions energy: -253.475
where: short stacking energy: -120.790
Base-Backbone interact. energy: -3.197
local terms energy: -166.875075
where:
bonds (distance) C4'-P energy: -39.107
bonds (distance) P-C4' energy: -52.485
flat angles C4'-P-C4' energy: -31.500
flat angles P-C4'-P energy: -21.365
tors. eta vs tors. theta energy: -22.418
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: 6
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -216.473022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.473022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.473022 (E_RNA)
where:
Base-Base interactions energy: -85.932
where: short stacking energy: -76.511
Base-Backbone interact. energy: 0.485
local terms energy: -131.025550
where:
bonds (distance) C4'-P energy: -26.296
bonds (distance) P-C4' energy: -44.624
flat angles C4'-P-C4' energy: -48.814
flat angles P-C4'-P energy: -21.418
tors. eta vs tors. theta energy: 10.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -929.078134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.078134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.078134 (E_RNA)
where:
Base-Base interactions energy: -653.209
where: short stacking energy: -252.480
Base-Backbone interact. energy: -0.305
local terms energy: -275.564108
where:
bonds (distance) C4'-P energy: -42.797
bonds (distance) P-C4' energy: -51.220
flat angles C4'-P-C4' energy: -63.318
flat angles P-C4'-P energy: -48.224
tors. eta vs tors. theta energy: -70.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -887.865617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.865617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.865617 (E_RNA)
where:
Base-Base interactions energy: -612.795
where: short stacking energy: -260.430
Base-Backbone interact. energy: -0.607
local terms energy: -274.463587
where:
bonds (distance) C4'-P energy: -42.579
bonds (distance) P-C4' energy: -51.489
flat angles C4'-P-C4' energy: -61.645
flat angles P-C4'-P energy: -41.296
tors. eta vs tors. theta energy: -77.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -862.253931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.253931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.253931 (E_RNA)
where:
Base-Base interactions energy: -589.708
where: short stacking energy: -258.562
Base-Backbone interact. energy: 0.097
local terms energy: -272.642608
where:
bonds (distance) C4'-P energy: -53.785
bonds (distance) P-C4' energy: -49.074
flat angles C4'-P-C4' energy: -52.430
flat angles P-C4'-P energy: -44.094
tors. eta vs tors. theta energy: -73.258
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: 2
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -828.117277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.117277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.117277 (E_RNA)
where:
Base-Base interactions energy: -556.248
where: short stacking energy: -214.788
Base-Backbone interact. energy: -1.768
local terms energy: -270.100764
where:
bonds (distance) C4'-P energy: -53.994
bonds (distance) P-C4' energy: -60.760
flat angles C4'-P-C4' energy: -60.564
flat angles P-C4'-P energy: -37.190
tors. eta vs tors. theta energy: -57.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -821.831819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.831819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.831819 (E_RNA)
where:
Base-Base interactions energy: -573.944
where: short stacking energy: -238.747
Base-Backbone interact. energy: 0.121
local terms energy: -248.008590
where:
bonds (distance) C4'-P energy: -48.764
bonds (distance) P-C4' energy: -48.372
flat angles C4'-P-C4' energy: -51.146
flat angles P-C4'-P energy: -32.162
tors. eta vs tors. theta energy: -67.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -737.564034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.564034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.564034 (E_RNA)
where:
Base-Base interactions energy: -498.033
where: short stacking energy: -212.436
Base-Backbone interact. energy: -1.746
local terms energy: -237.784336
where:
bonds (distance) C4'-P energy: -56.234
bonds (distance) P-C4' energy: -48.287
flat angles C4'-P-C4' energy: -49.415
flat angles P-C4'-P energy: -32.194
tors. eta vs tors. theta energy: -51.654
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: 10
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -703.712007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.712007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.712007 (E_RNA)
where:
Base-Base interactions energy: -475.439
where: short stacking energy: -192.467
Base-Backbone interact. energy: -1.094
local terms energy: -227.179293
where:
bonds (distance) C4'-P energy: -51.219
bonds (distance) P-C4' energy: -37.607
flat angles C4'-P-C4' energy: -54.202
flat angles P-C4'-P energy: -35.506
tors. eta vs tors. theta energy: -48.645
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: 1
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -745.423133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.423133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.423133 (E_RNA)
where:
Base-Base interactions energy: -513.998
where: short stacking energy: -216.164
Base-Backbone interact. energy: 1.716
local terms energy: -233.141824
where:
bonds (distance) C4'-P energy: -44.241
bonds (distance) P-C4' energy: -46.373
flat angles C4'-P-C4' energy: -49.072
flat angles P-C4'-P energy: -30.058
tors. eta vs tors. theta energy: -63.398
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: 9, replica: 9
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -451.907287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.907287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.907287 (E_RNA)
where:
Base-Base interactions energy: -271.191
where: short stacking energy: -116.888
Base-Backbone interact. energy: 1.264
local terms energy: -181.980541
where:
bonds (distance) C4'-P energy: -42.960
bonds (distance) P-C4' energy: -40.130
flat angles C4'-P-C4' energy: -48.289
flat angles P-C4'-P energy: -28.589
tors. eta vs tors. theta energy: -22.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -252.742027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.742027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.742027 (E_RNA)
where:
Base-Base interactions energy: -104.568
where: short stacking energy: -81.786
Base-Backbone interact. energy: 2.569
local terms energy: -150.742442
where:
bonds (distance) C4'-P energy: -47.047
bonds (distance) P-C4' energy: -35.087
flat angles C4'-P-C4' energy: -49.238
flat angles P-C4'-P energy: -25.371
tors. eta vs tors. theta energy: 6.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -918.107028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.107028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.107028 (E_RNA)
where:
Base-Base interactions energy: -639.573
where: short stacking energy: -261.952
Base-Backbone interact. energy: 0.779
local terms energy: -279.312880
where:
bonds (distance) C4'-P energy: -48.688
bonds (distance) P-C4' energy: -59.184
flat angles C4'-P-C4' energy: -61.288
flat angles P-C4'-P energy: -39.031
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: 2, replica: 7
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -880.824469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.824469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.824469 (E_RNA)
where:
Base-Base interactions energy: -605.936
where: short stacking energy: -230.235
Base-Backbone interact. energy: -1.045
local terms energy: -273.842525
where:
bonds (distance) C4'-P energy: -58.958
bonds (distance) P-C4' energy: -54.547
flat angles C4'-P-C4' energy: -56.026
flat angles P-C4'-P energy: -41.128
tors. eta vs tors. theta energy: -63.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -871.880946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.880946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.880946 (E_RNA)
where:
Base-Base interactions energy: -617.805
where: short stacking energy: -263.448
Base-Backbone interact. energy: 0.638
local terms energy: -254.714552
where:
bonds (distance) C4'-P energy: -44.902
bonds (distance) P-C4' energy: -44.469
flat angles C4'-P-C4' energy: -58.515
flat angles P-C4'-P energy: -34.798
tors. eta vs tors. theta energy: -72.030
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: 2
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -799.104183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.104183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.104183 (E_RNA)
where:
Base-Base interactions energy: -560.747
where: short stacking energy: -221.866
Base-Backbone interact. energy: -1.214
local terms energy: -237.142988
where:
bonds (distance) C4'-P energy: -40.801
bonds (distance) P-C4' energy: -50.646
flat angles C4'-P-C4' energy: -48.663
flat angles P-C4'-P energy: -36.380
tors. eta vs tors. theta energy: -60.654
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: 5
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -806.848942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.848942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.848942 (E_RNA)
where:
Base-Base interactions energy: -553.567
where: short stacking energy: -238.682
Base-Backbone interact. energy: -0.106
local terms energy: -253.176120
where:
bonds (distance) C4'-P energy: -30.421
bonds (distance) P-C4' energy: -47.286
flat angles C4'-P-C4' energy: -58.147
flat angles P-C4'-P energy: -39.934
tors. eta vs tors. theta energy: -77.388
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: 4
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -747.987908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.987908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.987908 (E_RNA)
where:
Base-Base interactions energy: -510.152
where: short stacking energy: -204.993
Base-Backbone interact. energy: 1.872
local terms energy: -239.707522
where:
bonds (distance) C4'-P energy: -43.983
bonds (distance) P-C4' energy: -42.379
flat angles C4'-P-C4' energy: -54.997
flat angles P-C4'-P energy: -40.121
tors. eta vs tors. theta energy: -58.227
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: 1
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -780.266626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.266626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.266626 (E_RNA)
where:
Base-Base interactions energy: -535.071
where: short stacking energy: -209.824
Base-Backbone interact. energy: -0.962
local terms energy: -244.233744
where:
bonds (distance) C4'-P energy: -47.348
bonds (distance) P-C4' energy: -49.890
flat angles C4'-P-C4' energy: -58.139
flat angles P-C4'-P energy: -27.650
tors. eta vs tors. theta energy: -61.206
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: 10
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -721.964351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.964351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.964351 (E_RNA)
where:
Base-Base interactions energy: -499.558
where: short stacking energy: -210.457
Base-Backbone interact. energy: -0.161
local terms energy: -222.245179
where:
bonds (distance) C4'-P energy: -46.101
bonds (distance) P-C4' energy: -46.558
flat angles C4'-P-C4' energy: -49.964
flat angles P-C4'-P energy: -20.671
tors. eta vs tors. theta energy: -58.951
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: 9
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -434.216458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.216458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.216458 (E_RNA)
where:
Base-Base interactions energy: -270.382
where: short stacking energy: -116.672
Base-Backbone interact. energy: -0.529
local terms energy: -163.305325
where:
bonds (distance) C4'-P energy: -52.324
bonds (distance) P-C4' energy: -31.339
flat angles C4'-P-C4' energy: -45.737
flat angles P-C4'-P energy: -24.515
tors. eta vs tors. theta energy: -9.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -227.080938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.080938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.080938 (E_RNA)
where:
Base-Base interactions energy: -84.279
where: short stacking energy: -81.662
Base-Backbone interact. energy: 7.072
local terms energy: -149.873527
where:
bonds (distance) C4'-P energy: -49.248
bonds (distance) P-C4' energy: -35.398
flat angles C4'-P-C4' energy: -50.545
flat angles P-C4'-P energy: -19.714
tors. eta vs tors. theta energy: 5.031
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: 85
Temperature: 0.900000
Total energy: -912.308480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.308480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.308480 (E_RNA)
where:
Base-Base interactions energy: -646.386
where: short stacking energy: -271.233
Base-Backbone interact. energy: 1.158
local terms energy: -267.080878
where:
bonds (distance) C4'-P energy: -46.284
bonds (distance) P-C4' energy: -47.154
flat angles C4'-P-C4' energy: -55.442
flat angles P-C4'-P energy: -48.257
tors. eta vs tors. theta energy: -69.944
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: 7
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -887.303837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.303837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.303837 (E_RNA)
where:
Base-Base interactions energy: -610.578
where: short stacking energy: -261.294
Base-Backbone interact. energy: -1.020
local terms energy: -275.705592
where:
bonds (distance) C4'-P energy: -52.663
bonds (distance) P-C4' energy: -59.614
flat angles C4'-P-C4' energy: -55.112
flat angles P-C4'-P energy: -36.898
tors. eta vs tors. theta energy: -71.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -886.474262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.474262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.474262 (E_RNA)
where:
Base-Base interactions energy: -612.418
where: short stacking energy: -265.660
Base-Backbone interact. energy: 2.124
local terms energy: -276.180768
where:
bonds (distance) C4'-P energy: -52.695
bonds (distance) P-C4' energy: -47.596
flat angles C4'-P-C4' energy: -56.925
flat angles P-C4'-P energy: -44.401
tors. eta vs tors. theta energy: -74.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -848.156375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.156375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.156375 (E_RNA)
where:
Base-Base interactions energy: -588.720
where: short stacking energy: -253.721
Base-Backbone interact. energy: -1.462
local terms energy: -257.974372
where:
bonds (distance) C4'-P energy: -53.009
bonds (distance) P-C4' energy: -47.101
flat angles C4'-P-C4' energy: -48.681
flat angles P-C4'-P energy: -36.775
tors. eta vs tors. theta energy: -72.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -795.543756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.543756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.543756 (E_RNA)
where:
Base-Base interactions energy: -556.091
where: short stacking energy: -229.023
Base-Backbone interact. energy: -0.649
local terms energy: -238.803105
where:
bonds (distance) C4'-P energy: -37.099
bonds (distance) P-C4' energy: -52.042
flat angles C4'-P-C4' energy: -59.225
flat angles P-C4'-P energy: -29.202
tors. eta vs tors. theta energy: -61.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -806.516565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.516565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.516565 (E_RNA)
where:
Base-Base interactions energy: -554.173
where: short stacking energy: -240.971
Base-Backbone interact. energy: -1.096
local terms energy: -251.246979
where:
bonds (distance) C4'-P energy: -51.977
bonds (distance) P-C4' energy: -39.603
flat angles C4'-P-C4' energy: -55.902
flat angles P-C4'-P energy: -34.885
tors. eta vs tors. theta energy: -68.880
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: 7, replica: 4
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -716.868076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.868076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.868076 (E_RNA)
where:
Base-Base interactions energy: -506.599
where: short stacking energy: -207.090
Base-Backbone interact. energy: -0.655
local terms energy: -209.614267
where:
bonds (distance) C4'-P energy: -39.289
bonds (distance) P-C4' energy: -41.898
flat angles C4'-P-C4' energy: -42.797
flat angles P-C4'-P energy: -27.994
tors. eta vs tors. theta energy: -57.636
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: 85
Temperature: 1.250000
Total energy: -736.689381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.689381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.689381 (E_RNA)
where:
Base-Base interactions energy: -506.821
where: short stacking energy: -209.885
Base-Backbone interact. energy: -1.901
local terms energy: -227.967645
where:
bonds (distance) C4'-P energy: -46.553
bonds (distance) P-C4' energy: -48.155
flat angles C4'-P-C4' energy: -42.360
flat angles P-C4'-P energy: -33.800
tors. eta vs tors. theta energy: -57.099
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: 9, replica: 9
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -437.313298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.313298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.313298 (E_RNA)
where:
Base-Base interactions energy: -264.868
where: short stacking energy: -118.760
Base-Backbone interact. energy: -1.726
local terms energy: -170.719509
where:
bonds (distance) C4'-P energy: -37.416
bonds (distance) P-C4' energy: -45.196
flat angles C4'-P-C4' energy: -39.947
flat angles P-C4'-P energy: -29.209
tors. eta vs tors. theta energy: -18.952
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: 6
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -230.435289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.435289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.435289 (E_RNA)
where:
Base-Base interactions energy: -80.569
where: short stacking energy: -63.201
Base-Backbone interact. energy: -0.512
local terms energy: -149.353768
where:
bonds (distance) C4'-P energy: -39.080
bonds (distance) P-C4' energy: -46.749
flat angles C4'-P-C4' energy: -35.568
flat angles P-C4'-P energy: -23.992
tors. eta vs tors. theta energy: -3.965
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: 7
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -891.368048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.368048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.368048 (E_RNA)
where:
Base-Base interactions energy: -618.844
where: short stacking energy: -280.702
Base-Backbone interact. energy: -0.639
local terms energy: -271.885455
where:
bonds (distance) C4'-P energy: -51.819
bonds (distance) P-C4' energy: -45.158
flat angles C4'-P-C4' energy: -55.340
flat angles P-C4'-P energy: -39.839
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: 3
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -903.078168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.078168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.078168 (E_RNA)
where:
Base-Base interactions energy: -628.817
where: short stacking energy: -246.724
Base-Backbone interact. energy: -1.124
local terms energy: -273.136859
where:
bonds (distance) C4'-P energy: -53.591
bonds (distance) P-C4' energy: -54.379
flat angles C4'-P-C4' energy: -55.341
flat angles P-C4'-P energy: -40.128
tors. eta vs tors. theta energy: -69.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -869.824409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.824409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.824409 (E_RNA)
where:
Base-Base interactions energy: -597.637
where: short stacking energy: -254.097
Base-Backbone interact. energy: -0.465
local terms energy: -271.722069
where:
bonds (distance) C4'-P energy: -54.854
bonds (distance) P-C4' energy: -46.688
flat angles C4'-P-C4' energy: -52.456
flat angles P-C4'-P energy: -38.884
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: 4, replica: 5
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -829.137385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.137385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.137385 (E_RNA)
where:
Base-Base interactions energy: -564.578
where: short stacking energy: -236.033
Base-Backbone interact. energy: -1.034
local terms energy: -263.524809
where:
bonds (distance) C4'-P energy: -51.166
bonds (distance) P-C4' energy: -52.618
flat angles C4'-P-C4' energy: -57.462
flat angles P-C4'-P energy: -34.715
tors. eta vs tors. theta energy: -67.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -788.822114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.822114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.822114 (E_RNA)
where:
Base-Base interactions energy: -545.190
where: short stacking energy: -211.024
Base-Backbone interact. energy: -0.456
local terms energy: -243.176373
where:
bonds (distance) C4'-P energy: -34.364
bonds (distance) P-C4' energy: -60.226
flat angles C4'-P-C4' energy: -56.912
flat angles P-C4'-P energy: -25.130
tors. eta vs tors. theta energy: -66.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -819.801492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.801492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.801492 (E_RNA)
where:
Base-Base interactions energy: -566.797
where: short stacking energy: -258.652
Base-Backbone interact. energy: -0.291
local terms energy: -252.713725
where:
bonds (distance) C4'-P energy: -47.796
bonds (distance) P-C4' energy: -36.012
flat angles C4'-P-C4' energy: -59.422
flat angles P-C4'-P energy: -42.653
tors. eta vs tors. theta energy: -66.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -725.448671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.448671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.448671 (E_RNA)
where:
Base-Base interactions energy: -497.293
where: short stacking energy: -221.537
Base-Backbone interact. energy: -0.827
local terms energy: -227.328645
where:
bonds (distance) C4'-P energy: -39.433
bonds (distance) P-C4' energy: -50.272
flat angles C4'-P-C4' energy: -49.761
flat angles P-C4'-P energy: -32.063
tors. eta vs tors. theta energy: -55.799
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: 8, replica: 4
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -680.052668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.052668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.052668 (E_RNA)
where:
Base-Base interactions energy: -478.078
where: short stacking energy: -196.787
Base-Backbone interact. energy: -0.710
local terms energy: -201.264452
where:
bonds (distance) C4'-P energy: -38.417
bonds (distance) P-C4' energy: -38.965
flat angles C4'-P-C4' energy: -44.774
flat angles P-C4'-P energy: -39.250
tors. eta vs tors. theta energy: -39.858
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: 86
Temperature: 1.300000
Total energy: -437.922700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.922700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.922700 (E_RNA)
where:
Base-Base interactions energy: -270.004
where: short stacking energy: -128.783
Base-Backbone interact. energy: -0.097
local terms energy: -167.821856
where:
bonds (distance) C4'-P energy: -45.307
bonds (distance) P-C4' energy: -39.286
flat angles C4'-P-C4' energy: -41.650
flat angles P-C4'-P energy: -28.140
tors. eta vs tors. theta energy: -13.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -219.549308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.549308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.549308 (E_RNA)
where:
Base-Base interactions energy: -56.862
where: short stacking energy: -51.345
Base-Backbone interact. energy: -2.137
local terms energy: -160.549679
where:
bonds (distance) C4'-P energy: -51.296
bonds (distance) P-C4' energy: -50.083
flat angles C4'-P-C4' energy: -38.208
flat angles P-C4'-P energy: -27.095
tors. eta vs tors. theta energy: 6.132
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: 7
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -901.370413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.370413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.370413 (E_RNA)
where:
Base-Base interactions energy: -606.078
where: short stacking energy: -265.549
Base-Backbone interact. energy: -1.254
local terms energy: -294.038007
where:
bonds (distance) C4'-P energy: -57.586
bonds (distance) P-C4' energy: -56.216
flat angles C4'-P-C4' energy: -59.719
flat angles P-C4'-P energy: -39.310
tors. eta vs tors. theta energy: -81.206
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: 8
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -885.594265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.594265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.594265 (E_RNA)
where:
Base-Base interactions energy: -610.687
where: short stacking energy: -257.255
Base-Backbone interact. energy: -1.648
local terms energy: -273.259257
where:
bonds (distance) C4'-P energy: -51.837
bonds (distance) P-C4' energy: -52.827
flat angles C4'-P-C4' energy: -59.314
flat angles P-C4'-P energy: -36.882
tors. eta vs tors. theta energy: -72.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -879.004754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.004754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.004754 (E_RNA)
where:
Base-Base interactions energy: -608.634
where: short stacking energy: -257.491
Base-Backbone interact. energy: -1.270
local terms energy: -269.101395
where:
bonds (distance) C4'-P energy: -47.183
bonds (distance) P-C4' energy: -45.407
flat angles C4'-P-C4' energy: -55.472
flat angles P-C4'-P energy: -40.319
tors. eta vs tors. theta energy: -80.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -839.213125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.213125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.213125 (E_RNA)
where:
Base-Base interactions energy: -576.153
where: short stacking energy: -237.966
Base-Backbone interact. energy: -0.966
local terms energy: -262.094703
where:
bonds (distance) C4'-P energy: -47.832
bonds (distance) P-C4' energy: -56.049
flat angles C4'-P-C4' energy: -51.486
flat angles P-C4'-P energy: -39.964
tors. eta vs tors. theta energy: -66.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -817.025883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.025883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.025883 (E_RNA)
where:
Base-Base interactions energy: -573.341
where: short stacking energy: -209.134
Base-Backbone interact. energy: -0.866
local terms energy: -242.819472
where:
bonds (distance) C4'-P energy: -44.858
bonds (distance) P-C4' energy: -49.335
flat angles C4'-P-C4' energy: -50.528
flat angles P-C4'-P energy: -41.176
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: 6, replica: 10
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -767.403525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.403525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.403525 (E_RNA)
where:
Base-Base interactions energy: -528.496
where: short stacking energy: -223.961
Base-Backbone interact. energy: 0.017
local terms energy: -238.924396
where:
bonds (distance) C4'-P energy: -44.090
bonds (distance) P-C4' energy: -53.324
flat angles C4'-P-C4' energy: -51.639
flat angles P-C4'-P energy: -31.690
tors. eta vs tors. theta energy: -58.182
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: 1
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -785.934016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.934016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.934016 (E_RNA)
where:
Base-Base interactions energy: -560.305
where: short stacking energy: -245.432
Base-Backbone interact. energy: -1.303
local terms energy: -224.326630
where:
bonds (distance) C4'-P energy: -36.499
bonds (distance) P-C4' energy: -41.736
flat angles C4'-P-C4' energy: -53.667
flat angles P-C4'-P energy: -34.977
tors. eta vs tors. theta energy: -57.448
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: 4
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -673.938605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.938605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.938605 (E_RNA)
where:
Base-Base interactions energy: -458.402
where: short stacking energy: -196.232
Base-Backbone interact. energy: -0.674
local terms energy: -214.861937
where:
bonds (distance) C4'-P energy: -40.050
bonds (distance) P-C4' energy: -49.905
flat angles C4'-P-C4' energy: -50.902
flat angles P-C4'-P energy: -25.198
tors. eta vs tors. theta energy: -48.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -441.413928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.413928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.413928 (E_RNA)
where:
Base-Base interactions energy: -278.755
where: short stacking energy: -131.595
Base-Backbone interact. energy: -0.807
local terms energy: -161.851826
where:
bonds (distance) C4'-P energy: -35.803
bonds (distance) P-C4' energy: -35.242
flat angles C4'-P-C4' energy: -38.819
flat angles P-C4'-P energy: -27.089
tors. eta vs tors. theta energy: -24.899
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: 6
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -216.350584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.350584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.350584 (E_RNA)
where:
Base-Base interactions energy: -81.136
where: short stacking energy: -72.238
Base-Backbone interact. energy: -0.843
local terms energy: -134.371914
where:
bonds (distance) C4'-P energy: -29.870
bonds (distance) P-C4' energy: -52.404
flat angles C4'-P-C4' energy: -33.934
flat angles P-C4'-P energy: -21.058
tors. eta vs tors. theta energy: 2.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -900.889705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.889705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.889705 (E_RNA)
where:
Base-Base interactions energy: -611.177
where: short stacking energy: -269.886
Base-Backbone interact. energy: -0.444
local terms energy: -289.268472
where:
bonds (distance) C4'-P energy: -48.228
bonds (distance) P-C4' energy: -52.529
flat angles C4'-P-C4' energy: -61.452
flat angles P-C4'-P energy: -44.958
tors. eta vs tors. theta energy: -82.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -888.433491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.433491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.433491 (E_RNA)
where:
Base-Base interactions energy: -618.766
where: short stacking energy: -264.390
Base-Backbone interact. energy: -3.442
local terms energy: -266.225511
where:
bonds (distance) C4'-P energy: -47.232
bonds (distance) P-C4' energy: -47.471
flat angles C4'-P-C4' energy: -50.317
flat angles P-C4'-P energy: -43.549
tors. eta vs tors. theta energy: -77.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -863.923639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.923639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.923639 (E_RNA)
where:
Base-Base interactions energy: -600.248
where: short stacking energy: -232.793
Base-Backbone interact. energy: -1.080
local terms energy: -262.595787
where:
bonds (distance) C4'-P energy: -47.111
bonds (distance) P-C4' energy: -60.166
flat angles C4'-P-C4' energy: -58.311
flat angles P-C4'-P energy: -35.928
tors. eta vs tors. theta energy: -61.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -829.098097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.098097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.098097 (E_RNA)
where:
Base-Base interactions energy: -568.709
where: short stacking energy: -228.254
Base-Backbone interact. energy: 0.325
local terms energy: -260.713351
where:
bonds (distance) C4'-P energy: -48.379
bonds (distance) P-C4' energy: -56.527
flat angles C4'-P-C4' energy: -56.299
flat angles P-C4'-P energy: -38.307
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: 5, replica: 5
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -820.319611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.319611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.319611 (E_RNA)
where:
Base-Base interactions energy: -568.505
where: short stacking energy: -250.282
Base-Backbone interact. energy: -0.820
local terms energy: -250.994207
where:
bonds (distance) C4'-P energy: -47.092
bonds (distance) P-C4' energy: -49.418
flat angles C4'-P-C4' energy: -47.934
flat angles P-C4'-P energy: -32.546
tors. eta vs tors. theta energy: -74.005
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: 6, replica: 10
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -793.432201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.432201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.432201 (E_RNA)
where:
Base-Base interactions energy: -529.896
where: short stacking energy: -241.074
Base-Backbone interact. energy: -0.551
local terms energy: -262.985425
where:
bonds (distance) C4'-P energy: -47.752
bonds (distance) P-C4' energy: -51.836
flat angles C4'-P-C4' energy: -58.669
flat angles P-C4'-P energy: -30.119
tors. eta vs tors. theta energy: -74.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -774.042226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.042226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.042226 (E_RNA)
where:
Base-Base interactions energy: -541.530
where: short stacking energy: -233.876
Base-Backbone interact. energy: 0.170
local terms energy: -232.681979
where:
bonds (distance) C4'-P energy: -37.986
bonds (distance) P-C4' energy: -54.783
flat angles C4'-P-C4' energy: -40.336
flat angles P-C4'-P energy: -36.735
tors. eta vs tors. theta energy: -62.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -731.992756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.992756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.992756 (E_RNA)
where:
Base-Base interactions energy: -507.270
where: short stacking energy: -204.719
Base-Backbone interact. energy: -1.639
local terms energy: -223.083592
where:
bonds (distance) C4'-P energy: -41.554
bonds (distance) P-C4' energy: -40.185
flat angles C4'-P-C4' energy: -48.552
flat angles P-C4'-P energy: -36.391
tors. eta vs tors. theta energy: -56.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -422.925869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.925869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.925869 (E_RNA)
where:
Base-Base interactions energy: -238.314
where: short stacking energy: -114.715
Base-Backbone interact. energy: -1.173
local terms energy: -183.439420
where:
bonds (distance) C4'-P energy: -47.461
bonds (distance) P-C4' energy: -50.700
flat angles C4'-P-C4' energy: -39.136
flat angles P-C4'-P energy: -27.298
tors. eta vs tors. theta energy: -18.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -222.401039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.401039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.401039 (E_RNA)
where:
Base-Base interactions energy: -93.637
where: short stacking energy: -71.780
Base-Backbone interact. energy: 1.164
local terms energy: -129.928521
where:
bonds (distance) C4'-P energy: -30.111
bonds (distance) P-C4' energy: -50.436
flat angles C4'-P-C4' energy: -38.744
flat angles P-C4'-P energy: -10.816
tors. eta vs tors. theta energy: 0.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -887.891310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.891310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.891310 (E_RNA)
where:
Base-Base interactions energy: -612.714
where: short stacking energy: -258.999
Base-Backbone interact. energy: -0.895
local terms energy: -274.282272
where:
bonds (distance) C4'-P energy: -53.586
bonds (distance) P-C4' energy: -53.823
flat angles C4'-P-C4' energy: -56.289
flat angles P-C4'-P energy: -42.094
tors. eta vs tors. theta energy: -68.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -907.097543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.097543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.097543 (E_RNA)
where:
Base-Base interactions energy: -612.215
where: short stacking energy: -259.017
Base-Backbone interact. energy: -2.306
local terms energy: -292.575883
where:
bonds (distance) C4'-P energy: -50.516
bonds (distance) P-C4' energy: -60.279
flat angles C4'-P-C4' energy: -56.485
flat angles P-C4'-P energy: -49.225
tors. eta vs tors. theta energy: -76.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -867.905003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.905003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.905003 (E_RNA)
where:
Base-Base interactions energy: -603.505
where: short stacking energy: -250.464
Base-Backbone interact. energy: -1.020
local terms energy: -263.380157
where:
bonds (distance) C4'-P energy: -42.567
bonds (distance) P-C4' energy: -45.207
flat angles C4'-P-C4' energy: -63.107
flat angles P-C4'-P energy: -40.139
tors. eta vs tors. theta energy: -72.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -825.925460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.925460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.925460 (E_RNA)
where:
Base-Base interactions energy: -568.192
where: short stacking energy: -238.315
Base-Backbone interact. energy: -0.506
local terms energy: -257.227707
where:
bonds (distance) C4'-P energy: -47.301
bonds (distance) P-C4' energy: -49.152
flat angles C4'-P-C4' energy: -53.179
flat angles P-C4'-P energy: -41.052
tors. eta vs tors. theta energy: -66.544
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: 5, replica: 2
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -808.902707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.902707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.902707 (E_RNA)
where:
Base-Base interactions energy: -567.380
where: short stacking energy: -229.015
Base-Backbone interact. energy: -2.090
local terms energy: -239.432523
where:
bonds (distance) C4'-P energy: -47.299
bonds (distance) P-C4' energy: -48.795
flat angles C4'-P-C4' energy: -50.967
flat angles P-C4'-P energy: -30.272
tors. eta vs tors. theta energy: -62.099
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: 10
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -762.404543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.404543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.404543 (E_RNA)
where:
Base-Base interactions energy: -537.144
where: short stacking energy: -227.076
Base-Backbone interact. energy: -0.323
local terms energy: -224.937871
where:
bonds (distance) C4'-P energy: -42.933
bonds (distance) P-C4' energy: -51.335
flat angles C4'-P-C4' energy: -44.967
flat angles P-C4'-P energy: -28.840
tors. eta vs tors. theta energy: -56.863
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: 1
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -789.164183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.164183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.164183 (E_RNA)
where:
Base-Base interactions energy: -560.479
where: short stacking energy: -237.556
Base-Backbone interact. energy: -0.860
local terms energy: -227.824760
where:
bonds (distance) C4'-P energy: -49.100
bonds (distance) P-C4' energy: -36.332
flat angles C4'-P-C4' energy: -51.036
flat angles P-C4'-P energy: -27.536
tors. eta vs tors. theta energy: -63.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -699.740094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.740094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.740094 (E_RNA)
where:
Base-Base interactions energy: -477.386
where: short stacking energy: -206.392
Base-Backbone interact. energy: -0.741
local terms energy: -221.612751
where:
bonds (distance) C4'-P energy: -44.911
bonds (distance) P-C4' energy: -43.775
flat angles C4'-P-C4' energy: -46.530
flat angles P-C4'-P energy: -31.529
tors. eta vs tors. theta energy: -54.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -455.095659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.095659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.095659 (E_RNA)
where:
Base-Base interactions energy: -284.634
where: short stacking energy: -134.735
Base-Backbone interact. energy: 0.802
local terms energy: -171.264053
where:
bonds (distance) C4'-P energy: -37.356
bonds (distance) P-C4' energy: -50.024
flat angles C4'-P-C4' energy: -48.503
flat angles P-C4'-P energy: -16.447
tors. eta vs tors. theta energy: -18.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -234.167184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.167184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.167184 (E_RNA)
where:
Base-Base interactions energy: -86.059
where: short stacking energy: -63.320
Base-Backbone interact. energy: 0.235
local terms energy: -148.342861
where:
bonds (distance) C4'-P energy: -48.697
bonds (distance) P-C4' energy: -37.975
flat angles C4'-P-C4' energy: -40.345
flat angles P-C4'-P energy: -27.611
tors. eta vs tors. theta energy: 6.284
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: 7
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -897.853462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.853462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.853462 (E_RNA)
where:
Base-Base interactions energy: -610.273
where: short stacking energy: -253.981
Base-Backbone interact. energy: -2.115
local terms energy: -285.464944
where:
bonds (distance) C4'-P energy: -56.503
bonds (distance) P-C4' energy: -54.350
flat angles C4'-P-C4' energy: -61.657
flat angles P-C4'-P energy: -40.900
tors. eta vs tors. theta energy: -72.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -902.892598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.892598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.892598 (E_RNA)
where:
Base-Base interactions energy: -630.259
where: short stacking energy: -259.455
Base-Backbone interact. energy: -1.063
local terms energy: -271.570421
where:
bonds (distance) C4'-P energy: -47.184
bonds (distance) P-C4' energy: -49.073
flat angles C4'-P-C4' energy: -55.615
flat angles P-C4'-P energy: -43.123
tors. eta vs tors. theta energy: -76.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -869.447370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.447370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.447370 (E_RNA)
where:
Base-Base interactions energy: -605.449
where: short stacking energy: -259.810
Base-Backbone interact. energy: -0.639
local terms energy: -263.359348
where:
bonds (distance) C4'-P energy: -55.310
bonds (distance) P-C4' energy: -55.248
flat angles C4'-P-C4' energy: -56.397
flat angles P-C4'-P energy: -28.768
tors. eta vs tors. theta energy: -67.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -835.703556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.703556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.703556 (E_RNA)
where:
Base-Base interactions energy: -570.659
where: short stacking energy: -240.037
Base-Backbone interact. energy: -0.142
local terms energy: -264.902556
where:
bonds (distance) C4'-P energy: -56.101
bonds (distance) P-C4' energy: -49.516
flat angles C4'-P-C4' energy: -56.714
flat angles P-C4'-P energy: -32.751
tors. eta vs tors. theta energy: -69.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -837.920751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.920751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.920751 (E_RNA)
where:
Base-Base interactions energy: -574.763
where: short stacking energy: -239.114
Base-Backbone interact. energy: -0.871
local terms energy: -262.287504
where:
bonds (distance) C4'-P energy: -55.896
bonds (distance) P-C4' energy: -52.319
flat angles C4'-P-C4' energy: -53.207
flat angles P-C4'-P energy: -30.573
tors. eta vs tors. theta energy: -70.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -752.490975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.490975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.490975 (E_RNA)
where:
Base-Base interactions energy: -504.880
where: short stacking energy: -203.999
Base-Backbone interact. energy: -0.891
local terms energy: -246.720559
where:
bonds (distance) C4'-P energy: -52.253
bonds (distance) P-C4' energy: -58.357
flat angles C4'-P-C4' energy: -49.458
flat angles P-C4'-P energy: -30.341
tors. eta vs tors. theta energy: -56.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -780.973974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.973974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.973974 (E_RNA)
where:
Base-Base interactions energy: -533.903
where: short stacking energy: -219.436
Base-Backbone interact. energy: -1.028
local terms energy: -246.043388
where:
bonds (distance) C4'-P energy: -51.288
bonds (distance) P-C4' energy: -41.118
flat angles C4'-P-C4' energy: -46.596
flat angles P-C4'-P energy: -44.311
tors. eta vs tors. theta energy: -62.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -690.847044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.847044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.847044 (E_RNA)
where:
Base-Base interactions energy: -462.492
where: short stacking energy: -196.290
Base-Backbone interact. energy: -0.461
local terms energy: -227.893973
where:
bonds (distance) C4'-P energy: -45.126
bonds (distance) P-C4' energy: -44.922
flat angles C4'-P-C4' energy: -44.442
flat angles P-C4'-P energy: -34.906
tors. eta vs tors. theta energy: -58.499
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: 90
Temperature: 1.300000
Total energy: -519.223585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.223585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.223585 (E_RNA)
where:
Base-Base interactions energy: -334.251
where: short stacking energy: -175.969
Base-Backbone interact. energy: -0.750
local terms energy: -184.222515
where:
bonds (distance) C4'-P energy: -23.993
bonds (distance) P-C4' energy: -40.336
flat angles C4'-P-C4' energy: -50.450
flat angles P-C4'-P energy: -28.993
tors. eta vs tors. theta energy: -40.450
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: 6
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -213.697959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.697959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.697959 (E_RNA)
where:
Base-Base interactions energy: -85.753
where: short stacking energy: -68.455
Base-Backbone interact. energy: 0.559
local terms energy: -128.503579
where:
bonds (distance) C4'-P energy: -41.155
bonds (distance) P-C4' energy: -39.309
flat angles C4'-P-C4' energy: -32.132
flat angles P-C4'-P energy: -21.615
tors. eta vs tors. theta energy: 5.708
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: 1, replica: 7
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -893.818616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.818616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.818616 (E_RNA)
where:
Base-Base interactions energy: -627.191
where: short stacking energy: -270.799
Base-Backbone interact. energy: -0.416
local terms energy: -266.211329
where:
bonds (distance) C4'-P energy: -45.491
bonds (distance) P-C4' energy: -59.483
flat angles C4'-P-C4' energy: -50.248
flat angles P-C4'-P energy: -39.988
tors. eta vs tors. theta energy: -71.001
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: 8
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -906.199852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.199852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.199852 (E_RNA)
where:
Base-Base interactions energy: -614.996
where: short stacking energy: -266.008
Base-Backbone interact. energy: -0.199
local terms energy: -291.005068
where:
bonds (distance) C4'-P energy: -54.766
bonds (distance) P-C4' energy: -53.042
flat angles C4'-P-C4' energy: -57.622
flat angles P-C4'-P energy: -47.735
tors. eta vs tors. theta energy: -77.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -860.834290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.834290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.834290 (E_RNA)
where:
Base-Base interactions energy: -601.652
where: short stacking energy: -242.029
Base-Backbone interact. energy: 0.022
local terms energy: -259.204882
where:
bonds (distance) C4'-P energy: -55.889
bonds (distance) P-C4' energy: -54.337
flat angles C4'-P-C4' energy: -56.996
flat angles P-C4'-P energy: -29.010
tors. eta vs tors. theta energy: -62.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -838.076233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.076233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.076233 (E_RNA)
where:
Base-Base interactions energy: -581.626
where: short stacking energy: -232.905
Base-Backbone interact. energy: -1.385
local terms energy: -255.065380
where:
bonds (distance) C4'-P energy: -51.127
bonds (distance) P-C4' energy: -46.779
flat angles C4'-P-C4' energy: -56.378
flat angles P-C4'-P energy: -36.448
tors. eta vs tors. theta energy: -64.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -835.505975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.505975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.505975 (E_RNA)
where:
Base-Base interactions energy: -583.262
where: short stacking energy: -246.780
Base-Backbone interact. energy: -0.441
local terms energy: -251.802976
where:
bonds (distance) C4'-P energy: -46.070
bonds (distance) P-C4' energy: -49.097
flat angles C4'-P-C4' energy: -60.505
flat angles P-C4'-P energy: -28.558
tors. eta vs tors. theta energy: -67.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -806.949906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.949906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.949906 (E_RNA)
where:
Base-Base interactions energy: -565.966
where: short stacking energy: -248.159
Base-Backbone interact. energy: -0.577
local terms energy: -240.406891
where:
bonds (distance) C4'-P energy: -42.144
bonds (distance) P-C4' energy: -46.824
flat angles C4'-P-C4' energy: -49.511
flat angles P-C4'-P energy: -31.683
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: 7, replica: 10
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -775.892354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.892354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.892354 (E_RNA)
where:
Base-Base interactions energy: -516.687
where: short stacking energy: -212.304
Base-Backbone interact. energy: -1.096
local terms energy: -258.110129
where:
bonds (distance) C4'-P energy: -47.148
bonds (distance) P-C4' energy: -52.738
flat angles C4'-P-C4' energy: -60.169
flat angles P-C4'-P energy: -31.875
tors. eta vs tors. theta energy: -66.181
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: 8, replica: 4
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -688.035813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.035813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.035813 (E_RNA)
where:
Base-Base interactions energy: -471.140
where: short stacking energy: -190.532
Base-Backbone interact. energy: -0.670
local terms energy: -216.226159
where:
bonds (distance) C4'-P energy: -32.966
bonds (distance) P-C4' energy: -45.364
flat angles C4'-P-C4' energy: -48.482
flat angles P-C4'-P energy: -37.544
tors. eta vs tors. theta energy: -51.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -524.688541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.688541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.688541 (E_RNA)
where:
Base-Base interactions energy: -310.305
where: short stacking energy: -140.240
Base-Backbone interact. energy: -1.768
local terms energy: -212.615721
where:
bonds (distance) C4'-P energy: -52.084
bonds (distance) P-C4' energy: -43.572
flat angles C4'-P-C4' energy: -50.346
flat angles P-C4'-P energy: -32.754
tors. eta vs tors. theta energy: -33.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -244.159089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.159089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.159089 (E_RNA)
where:
Base-Base interactions energy: -95.927
where: short stacking energy: -81.866
Base-Backbone interact. energy: 0.126
local terms energy: -148.357529
where:
bonds (distance) C4'-P energy: -47.033
bonds (distance) P-C4' energy: -38.434
flat angles C4'-P-C4' energy: -43.860
flat angles P-C4'-P energy: -25.346
tors. eta vs tors. theta energy: 6.316
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: 8
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -906.774630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.774630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.774630 (E_RNA)
where:
Base-Base interactions energy: -637.214
where: short stacking energy: -277.481
Base-Backbone interact. energy: -1.761
local terms energy: -267.799897
where:
bonds (distance) C4'-P energy: -50.977
bonds (distance) P-C4' energy: -46.140
flat angles C4'-P-C4' energy: -59.318
flat angles P-C4'-P energy: -36.523
tors. eta vs tors. theta energy: -74.842
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: 7
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -877.667194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.667194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.667194 (E_RNA)
where:
Base-Base interactions energy: -613.632
where: short stacking energy: -239.243
Base-Backbone interact. energy: -1.144
local terms energy: -262.891512
where:
bonds (distance) C4'-P energy: -50.171
bonds (distance) P-C4' energy: -48.814
flat angles C4'-P-C4' energy: -60.931
flat angles P-C4'-P energy: -33.892
tors. eta vs tors. theta energy: -69.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -874.731930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.731930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.731930 (E_RNA)
where:
Base-Base interactions energy: -615.118
where: short stacking energy: -255.242
Base-Backbone interact. energy: -1.255
local terms energy: -258.359007
where:
bonds (distance) C4'-P energy: -45.330
bonds (distance) P-C4' energy: -52.588
flat angles C4'-P-C4' energy: -55.752
flat angles P-C4'-P energy: -31.422
tors. eta vs tors. theta energy: -73.266
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: 2
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -832.062823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.062823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.062823 (E_RNA)
where:
Base-Base interactions energy: -579.662
where: short stacking energy: -216.983
Base-Backbone interact. energy: 0.771
local terms energy: -253.172618
where:
bonds (distance) C4'-P energy: -41.426
bonds (distance) P-C4' energy: -55.102
flat angles C4'-P-C4' energy: -56.397
flat angles P-C4'-P energy: -40.068
tors. eta vs tors. theta energy: -60.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -804.589258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.589258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.589258 (E_RNA)
where:
Base-Base interactions energy: -548.327
where: short stacking energy: -244.863
Base-Backbone interact. energy: -0.568
local terms energy: -255.694701
where:
bonds (distance) C4'-P energy: -42.262
bonds (distance) P-C4' energy: -43.784
flat angles C4'-P-C4' energy: -57.791
flat angles P-C4'-P energy: -36.134
tors. eta vs tors. theta energy: -75.724
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: 1
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -798.731779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.731779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.731779 (E_RNA)
where:
Base-Base interactions energy: -545.292
where: short stacking energy: -247.283
Base-Backbone interact. energy: -0.449
local terms energy: -252.991026
where:
bonds (distance) C4'-P energy: -52.315
bonds (distance) P-C4' energy: -41.622
flat angles C4'-P-C4' energy: -52.907
flat angles P-C4'-P energy: -35.944
tors. eta vs tors. theta energy: -70.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -792.820959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.820959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.820959 (E_RNA)
where:
Base-Base interactions energy: -538.356
where: short stacking energy: -229.906
Base-Backbone interact. energy: 3.581
local terms energy: -258.046720
where:
bonds (distance) C4'-P energy: -47.646
bonds (distance) P-C4' energy: -54.214
flat angles C4'-P-C4' energy: -54.573
flat angles P-C4'-P energy: -36.203
tors. eta vs tors. theta energy: -65.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -701.737666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.737666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.737666 (E_RNA)
where:
Base-Base interactions energy: -492.654
where: short stacking energy: -204.144
Base-Backbone interact. energy: -0.083
local terms energy: -209.000867
where:
bonds (distance) C4'-P energy: -42.474
bonds (distance) P-C4' energy: -35.209
flat angles C4'-P-C4' energy: -47.550
flat angles P-C4'-P energy: -30.576
tors. eta vs tors. theta energy: -53.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -492.711823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.711823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.711823 (E_RNA)
where:
Base-Base interactions energy: -322.037
where: short stacking energy: -146.129
Base-Backbone interact. energy: 1.568
local terms energy: -172.243083
where:
bonds (distance) C4'-P energy: -37.353
bonds (distance) P-C4' energy: -40.920
flat angles C4'-P-C4' energy: -39.477
flat angles P-C4'-P energy: -18.732
tors. eta vs tors. theta energy: -35.761
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: 10, replica: 6
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -231.852819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.852819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.852819 (E_RNA)
where:
Base-Base interactions energy: -77.441
where: short stacking energy: -53.761
Base-Backbone interact. energy: -0.488
local terms energy: -153.924198
where:
bonds (distance) C4'-P energy: -50.644
bonds (distance) P-C4' energy: -49.377
flat angles C4'-P-C4' energy: -35.988
flat angles P-C4'-P energy: -18.123
tors. eta vs tors. theta energy: 0.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -923.147985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.147985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.147985 (E_RNA)
where:
Base-Base interactions energy: -628.219
where: short stacking energy: -264.236
Base-Backbone interact. energy: 0.562
local terms energy: -295.491676
where:
bonds (distance) C4'-P energy: -50.454
bonds (distance) P-C4' energy: -53.633
flat angles C4'-P-C4' energy: -61.406
flat angles P-C4'-P energy: -46.738
tors. eta vs tors. theta energy: -83.261
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: 7
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -883.349196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.349196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.349196 (E_RNA)
where:
Base-Base interactions energy: -612.507
where: short stacking energy: -248.764
Base-Backbone interact. energy: 0.201
local terms energy: -271.043110
where:
bonds (distance) C4'-P energy: -51.045
bonds (distance) P-C4' energy: -49.561
flat angles C4'-P-C4' energy: -61.820
flat angles P-C4'-P energy: -36.773
tors. eta vs tors. theta energy: -71.844
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: 3, replica: 3
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -859.608724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.608724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.608724 (E_RNA)
where:
Base-Base interactions energy: -592.229
where: short stacking energy: -265.474
Base-Backbone interact. energy: 0.142
local terms energy: -267.521754
where:
bonds (distance) C4'-P energy: -50.324
bonds (distance) P-C4' energy: -50.770
flat angles C4'-P-C4' energy: -61.178
flat angles P-C4'-P energy: -37.631
tors. eta vs tors. theta energy: -67.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -813.076472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.076472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.076472 (E_RNA)
where:
Base-Base interactions energy: -572.774
where: short stacking energy: -234.188
Base-Backbone interact. energy: -0.868
local terms energy: -239.433549
where:
bonds (distance) C4'-P energy: -32.685
bonds (distance) P-C4' energy: -54.035
flat angles C4'-P-C4' energy: -54.556
flat angles P-C4'-P energy: -34.752
tors. eta vs tors. theta energy: -63.405
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: 5
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -812.714815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.714815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.714815 (E_RNA)
where:
Base-Base interactions energy: -563.730
where: short stacking energy: -240.796
Base-Backbone interact. energy: 1.321
local terms energy: -250.306401
where:
bonds (distance) C4'-P energy: -40.782
bonds (distance) P-C4' energy: -44.675
flat angles C4'-P-C4' energy: -60.149
flat angles P-C4'-P energy: -32.880
tors. eta vs tors. theta energy: -71.820
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: 6, replica: 10
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -800.548083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.548083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.548083 (E_RNA)
where:
Base-Base interactions energy: -549.939
where: short stacking energy: -229.529
Base-Backbone interact. energy: -0.567
local terms energy: -250.042483
where:
bonds (distance) C4'-P energy: -51.329
bonds (distance) P-C4' energy: -45.709
flat angles C4'-P-C4' energy: -53.731
flat angles P-C4'-P energy: -34.104
tors. eta vs tors. theta energy: -65.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -795.390206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.390206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.390206 (E_RNA)
where:
Base-Base interactions energy: -552.101
where: short stacking energy: -238.792
Base-Backbone interact. energy: -1.183
local terms energy: -242.106122
where:
bonds (distance) C4'-P energy: -29.681
bonds (distance) P-C4' energy: -52.324
flat angles C4'-P-C4' energy: -55.014
flat angles P-C4'-P energy: -32.539
tors. eta vs tors. theta energy: -72.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -731.076542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.076542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.076542 (E_RNA)
where:
Base-Base interactions energy: -507.366
where: short stacking energy: -218.998
Base-Backbone interact. energy: 0.082
local terms energy: -223.793072
where:
bonds (distance) C4'-P energy: -43.227
bonds (distance) P-C4' energy: -45.855
flat angles C4'-P-C4' energy: -53.186
flat angles P-C4'-P energy: -33.198
tors. eta vs tors. theta energy: -48.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -515.208462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.208462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.208462 (E_RNA)
where:
Base-Base interactions energy: -326.541
where: short stacking energy: -148.782
Base-Backbone interact. energy: -0.113
local terms energy: -188.554456
where:
bonds (distance) C4'-P energy: -44.411
bonds (distance) P-C4' energy: -42.462
flat angles C4'-P-C4' energy: -42.748
flat angles P-C4'-P energy: -35.133
tors. eta vs tors. theta energy: -23.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -233.710669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.710669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.710669 (E_RNA)
where:
Base-Base interactions energy: -101.940
where: short stacking energy: -92.307
Base-Backbone interact. energy: -1.693
local terms energy: -130.076896
where:
bonds (distance) C4'-P energy: -27.561
bonds (distance) P-C4' energy: -41.120
flat angles C4'-P-C4' energy: -42.832
flat angles P-C4'-P energy: -12.681
tors. eta vs tors. theta energy: -5.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -907.420898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.420898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.420898 (E_RNA)
where:
Base-Base interactions energy: -622.414
where: short stacking energy: -266.363
Base-Backbone interact. energy: -0.264
local terms energy: -284.742289
where:
bonds (distance) C4'-P energy: -55.512
bonds (distance) P-C4' energy: -57.119
flat angles C4'-P-C4' energy: -56.774
flat angles P-C4'-P energy: -32.352
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: 7
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -878.025338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.025338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.025338 (E_RNA)
where:
Base-Base interactions energy: -608.373
where: short stacking energy: -250.727
Base-Backbone interact. energy: -0.541
local terms energy: -269.111182
where:
bonds (distance) C4'-P energy: -46.358
bonds (distance) P-C4' energy: -58.033
flat angles C4'-P-C4' energy: -56.546
flat angles P-C4'-P energy: -38.150
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: 3, replica: 3
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -864.034357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.034357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.034357 (E_RNA)
where:
Base-Base interactions energy: -603.358
where: short stacking energy: -249.956
Base-Backbone interact. energy: -0.528
local terms energy: -260.148031
where:
bonds (distance) C4'-P energy: -42.186
bonds (distance) P-C4' energy: -43.620
flat angles C4'-P-C4' energy: -59.167
flat angles P-C4'-P energy: -41.167
tors. eta vs tors. theta energy: -74.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -794.275942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.275942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.275942 (E_RNA)
where:
Base-Base interactions energy: -537.664
where: short stacking energy: -234.930
Base-Backbone interact. energy: 0.775
local terms energy: -257.387558
where:
bonds (distance) C4'-P energy: -48.180
bonds (distance) P-C4' energy: -56.183
flat angles C4'-P-C4' energy: -50.210
flat angles P-C4'-P energy: -43.462
tors. eta vs tors. theta energy: -59.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -794.836322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.836322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.836322 (E_RNA)
where:
Base-Base interactions energy: -564.649
where: short stacking energy: -226.946
Base-Backbone interact. energy: -0.061
local terms energy: -230.125878
where:
bonds (distance) C4'-P energy: -43.802
bonds (distance) P-C4' energy: -52.841
flat angles C4'-P-C4' energy: -44.795
flat angles P-C4'-P energy: -33.782
tors. eta vs tors. theta energy: -54.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -788.402948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.402948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.402948 (E_RNA)
where:
Base-Base interactions energy: -550.043
where: short stacking energy: -233.752
Base-Backbone interact. energy: -0.699
local terms energy: -237.660938
where:
bonds (distance) C4'-P energy: -46.468
bonds (distance) P-C4' energy: -31.916
flat angles C4'-P-C4' energy: -51.885
flat angles P-C4'-P energy: -34.513
tors. eta vs tors. theta energy: -72.880
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: 7, replica: 1
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -774.943587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.943587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.943587 (E_RNA)
where:
Base-Base interactions energy: -524.624
where: short stacking energy: -221.952
Base-Backbone interact. energy: -1.222
local terms energy: -249.097065
where:
bonds (distance) C4'-P energy: -34.874
bonds (distance) P-C4' energy: -55.526
flat angles C4'-P-C4' energy: -59.590
flat angles P-C4'-P energy: -36.726
tors. eta vs tors. theta energy: -62.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -731.067098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.067098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.067098 (E_RNA)
where:
Base-Base interactions energy: -513.898
where: short stacking energy: -214.341
Base-Backbone interact. energy: -0.764
local terms energy: -216.405563
where:
bonds (distance) C4'-P energy: -34.125
bonds (distance) P-C4' energy: -43.133
flat angles C4'-P-C4' energy: -50.168
flat angles P-C4'-P energy: -30.660
tors. eta vs tors. theta energy: -58.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -513.506084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.506084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.506084 (E_RNA)
where:
Base-Base interactions energy: -321.354
where: short stacking energy: -147.076
Base-Backbone interact. energy: -0.603
local terms energy: -191.549191
where:
bonds (distance) C4'-P energy: -46.518
bonds (distance) P-C4' energy: -42.277
flat angles C4'-P-C4' energy: -53.055
flat angles P-C4'-P energy: -23.540
tors. eta vs tors. theta energy: -26.159
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: 6
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -217.362024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.362024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.362024 (E_RNA)
where:
Base-Base interactions energy: -69.113
where: short stacking energy: -68.659
Base-Backbone interact. energy: -0.732
local terms energy: -147.516364
where:
bonds (distance) C4'-P energy: -45.378
bonds (distance) P-C4' energy: -48.407
flat angles C4'-P-C4' energy: -30.384
flat angles P-C4'-P energy: -29.982
tors. eta vs tors. theta energy: 6.635
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: 8
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -916.063131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.063131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.063131 (E_RNA)
where:
Base-Base interactions energy: -630.481
where: short stacking energy: -275.799
Base-Backbone interact. energy: -0.890
local terms energy: -284.691993
where:
bonds (distance) C4'-P energy: -54.835
bonds (distance) P-C4' energy: -52.375
flat angles C4'-P-C4' energy: -62.136
flat angles P-C4'-P energy: -41.776
tors. eta vs tors. theta energy: -73.570
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: 7
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -876.348455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.348455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.348455 (E_RNA)
where:
Base-Base interactions energy: -602.263
where: short stacking energy: -242.229
Base-Backbone interact. energy: 1.271
local terms energy: -275.356416
where:
bonds (distance) C4'-P energy: -51.253
bonds (distance) P-C4' energy: -52.289
flat angles C4'-P-C4' energy: -61.656
flat angles P-C4'-P energy: -46.892
tors. eta vs tors. theta energy: -63.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -832.429257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.429257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.429257 (E_RNA)
where:
Base-Base interactions energy: -570.492
where: short stacking energy: -246.545
Base-Backbone interact. energy: -0.357
local terms energy: -261.580221
where:
bonds (distance) C4'-P energy: -56.950
bonds (distance) P-C4' energy: -42.942
flat angles C4'-P-C4' energy: -56.194
flat angles P-C4'-P energy: -36.177
tors. eta vs tors. theta energy: -69.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -817.294576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.294576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.294576 (E_RNA)
where:
Base-Base interactions energy: -593.057
where: short stacking energy: -222.833
Base-Backbone interact. energy: -0.079
local terms energy: -224.158751
where:
bonds (distance) C4'-P energy: -40.077
bonds (distance) P-C4' energy: -54.021
flat angles C4'-P-C4' energy: -45.423
flat angles P-C4'-P energy: -32.128
tors. eta vs tors. theta energy: -52.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -819.002708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.002708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.002708 (E_RNA)
where:
Base-Base interactions energy: -566.510
where: short stacking energy: -235.525
Base-Backbone interact. energy: -2.200
local terms energy: -250.292918
where:
bonds (distance) C4'-P energy: -38.601
bonds (distance) P-C4' energy: -55.829
flat angles C4'-P-C4' energy: -59.993
flat angles P-C4'-P energy: -33.560
tors. eta vs tors. theta energy: -62.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -797.619460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.619460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.619460 (E_RNA)
where:
Base-Base interactions energy: -532.388
where: short stacking energy: -242.653
Base-Backbone interact. energy: 0.367
local terms energy: -265.598927
where:
bonds (distance) C4'-P energy: -41.816
bonds (distance) P-C4' energy: -52.091
flat angles C4'-P-C4' energy: -56.663
flat angles P-C4'-P energy: -38.837
tors. eta vs tors. theta energy: -76.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -751.026365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.026365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.026365 (E_RNA)
where:
Base-Base interactions energy: -497.518
where: short stacking energy: -199.679
Base-Backbone interact. energy: -0.820
local terms energy: -252.688502
where:
bonds (distance) C4'-P energy: -50.851
bonds (distance) P-C4' energy: -51.177
flat angles C4'-P-C4' energy: -58.715
flat angles P-C4'-P energy: -35.322
tors. eta vs tors. theta energy: -56.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -707.465417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.465417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.465417 (E_RNA)
where:
Base-Base interactions energy: -492.757
where: short stacking energy: -199.388
Base-Backbone interact. energy: -0.410
local terms energy: -214.298880
where:
bonds (distance) C4'-P energy: -40.086
bonds (distance) P-C4' energy: -44.638
flat angles C4'-P-C4' energy: -49.831
flat angles P-C4'-P energy: -30.347
tors. eta vs tors. theta energy: -49.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -510.718776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.718776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.718776 (E_RNA)
where:
Base-Base interactions energy: -320.163
where: short stacking energy: -146.023
Base-Backbone interact. energy: -0.702
local terms energy: -189.854302
where:
bonds (distance) C4'-P energy: -39.883
bonds (distance) P-C4' energy: -51.696
flat angles C4'-P-C4' energy: -37.960
flat angles P-C4'-P energy: -32.582
tors. eta vs tors. theta energy: -27.733
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: 6
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -229.014992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.014992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.014992 (E_RNA)
where:
Base-Base interactions energy: -88.730
where: short stacking energy: -65.456
Base-Backbone interact. energy: 7.935
local terms energy: -148.220344
where:
bonds (distance) C4'-P energy: -45.285
bonds (distance) P-C4' energy: -49.079
flat angles C4'-P-C4' energy: -36.847
flat angles P-C4'-P energy: -18.138
tors. eta vs tors. theta energy: 1.130
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: 8
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -916.429303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.429303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.429303 (E_RNA)
where:
Base-Base interactions energy: -618.858
where: short stacking energy: -261.595
Base-Backbone interact. energy: 0.096
local terms energy: -297.667043
where:
bonds (distance) C4'-P energy: -56.183
bonds (distance) P-C4' energy: -54.317
flat angles C4'-P-C4' energy: -66.657
flat angles P-C4'-P energy: -37.861
tors. eta vs tors. theta energy: -82.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -884.058325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.058325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.058325 (E_RNA)
where:
Base-Base interactions energy: -622.552
where: short stacking energy: -272.272
Base-Backbone interact. energy: -0.352
local terms energy: -261.154297
where:
bonds (distance) C4'-P energy: -51.985
bonds (distance) P-C4' energy: -42.611
flat angles C4'-P-C4' energy: -55.078
flat angles P-C4'-P energy: -37.668
tors. eta vs tors. theta energy: -73.812
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: 3, replica: 3
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -849.738004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.738004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.738004 (E_RNA)
where:
Base-Base interactions energy: -586.442
where: short stacking energy: -239.606
Base-Backbone interact. energy: 1.534
local terms energy: -264.829730
where:
bonds (distance) C4'-P energy: -45.022
bonds (distance) P-C4' energy: -53.731
flat angles C4'-P-C4' energy: -58.589
flat angles P-C4'-P energy: -39.540
tors. eta vs tors. theta energy: -67.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -827.733471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.733471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.733471 (E_RNA)
where:
Base-Base interactions energy: -576.699
where: short stacking energy: -221.633
Base-Backbone interact. energy: -0.708
local terms energy: -250.326352
where:
bonds (distance) C4'-P energy: -54.394
bonds (distance) P-C4' energy: -52.879
flat angles C4'-P-C4' energy: -52.711
flat angles P-C4'-P energy: -34.244
tors. eta vs tors. theta energy: -56.099
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: 96
Temperature: 1.100000
Total energy: -819.662617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.662617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.662617 (E_RNA)
where:
Base-Base interactions energy: -556.724
where: short stacking energy: -257.186
Base-Backbone interact. energy: -0.886
local terms energy: -262.052051
where:
bonds (distance) C4'-P energy: -47.067
bonds (distance) P-C4' energy: -51.122
flat angles C4'-P-C4' energy: -57.872
flat angles P-C4'-P energy: -33.552
tors. eta vs tors. theta energy: -72.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -803.179175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.179175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.179175 (E_RNA)
where:
Base-Base interactions energy: -541.145
where: short stacking energy: -233.557
Base-Backbone interact. energy: -0.464
local terms energy: -261.570082
where:
bonds (distance) C4'-P energy: -57.521
bonds (distance) P-C4' energy: -48.907
flat angles C4'-P-C4' energy: -53.083
flat angles P-C4'-P energy: -37.563
tors. eta vs tors. theta energy: -64.496
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: 5
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -761.043187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.043187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.043187 (E_RNA)
where:
Base-Base interactions energy: -521.752
where: short stacking energy: -235.553
Base-Backbone interact. energy: -0.540
local terms energy: -238.750806
where:
bonds (distance) C4'-P energy: -42.815
bonds (distance) P-C4' energy: -57.050
flat angles C4'-P-C4' energy: -50.769
flat angles P-C4'-P energy: -28.286
tors. eta vs tors. theta energy: -59.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -688.636731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.636731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.636731 (E_RNA)
where:
Base-Base interactions energy: -470.391
where: short stacking energy: -197.069
Base-Backbone interact. energy: -0.358
local terms energy: -217.887737
where:
bonds (distance) C4'-P energy: -42.270
bonds (distance) P-C4' energy: -49.230
flat angles C4'-P-C4' energy: -43.957
flat angles P-C4'-P energy: -21.746
tors. eta vs tors. theta energy: -60.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -538.102789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.102789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.102789 (E_RNA)
where:
Base-Base interactions energy: -364.218
where: short stacking energy: -143.911
Base-Backbone interact. energy: 0.282
local terms energy: -174.167152
where:
bonds (distance) C4'-P energy: -45.128
bonds (distance) P-C4' energy: -42.472
flat angles C4'-P-C4' energy: -37.157
flat angles P-C4'-P energy: -25.198
tors. eta vs tors. theta energy: -24.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -225.908218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.908218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.908218 (E_RNA)
where:
Base-Base interactions energy: -72.972
where: short stacking energy: -58.372
Base-Backbone interact. energy: 2.555
local terms energy: -155.490888
where:
bonds (distance) C4'-P energy: -36.653
bonds (distance) P-C4' energy: -52.281
flat angles C4'-P-C4' energy: -44.292
flat angles P-C4'-P energy: -24.717
tors. eta vs tors. theta energy: 2.452
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: 8
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -916.559209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.559209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.559209 (E_RNA)
where:
Base-Base interactions energy: -626.931
where: short stacking energy: -263.986
Base-Backbone interact. energy: 0.305
local terms energy: -289.933104
where:
bonds (distance) C4'-P energy: -56.674
bonds (distance) P-C4' energy: -51.873
flat angles C4'-P-C4' energy: -59.952
flat angles P-C4'-P energy: -45.366
tors. eta vs tors. theta energy: -76.067
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: 7
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -862.216473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.216473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.216473 (E_RNA)
where:
Base-Base interactions energy: -584.942
where: short stacking energy: -244.488
Base-Backbone interact. energy: -0.532
local terms energy: -276.742750
where:
bonds (distance) C4'-P energy: -52.708
bonds (distance) P-C4' energy: -60.015
flat angles C4'-P-C4' energy: -56.072
flat angles P-C4'-P energy: -41.588
tors. eta vs tors. theta energy: -66.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -889.003642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.003642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.003642 (E_RNA)
where:
Base-Base interactions energy: -610.207
where: short stacking energy: -253.207
Base-Backbone interact. energy: -0.858
local terms energy: -277.938517
where:
bonds (distance) C4'-P energy: -45.978
bonds (distance) P-C4' energy: -58.608
flat angles C4'-P-C4' energy: -61.040
flat angles P-C4'-P energy: -37.752
tors. eta vs tors. theta energy: -74.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -835.064487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.064487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.064487 (E_RNA)
where:
Base-Base interactions energy: -577.230
where: short stacking energy: -228.650
Base-Backbone interact. energy: -1.362
local terms energy: -256.471849
where:
bonds (distance) C4'-P energy: -50.817
bonds (distance) P-C4' energy: -56.823
flat angles C4'-P-C4' energy: -57.603
flat angles P-C4'-P energy: -31.263
tors. eta vs tors. theta energy: -59.965
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: 1
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -813.344080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.344080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.344080 (E_RNA)
where:
Base-Base interactions energy: -533.563
where: short stacking energy: -246.621
Base-Backbone interact. energy: -2.571
local terms energy: -277.210439
where:
bonds (distance) C4'-P energy: -51.273
bonds (distance) P-C4' energy: -49.578
flat angles C4'-P-C4' energy: -59.060
flat angles P-C4'-P energy: -45.794
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: 6, replica: 5
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -780.833851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.833851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.833851 (E_RNA)
where:
Base-Base interactions energy: -550.713
where: short stacking energy: -239.727
Base-Backbone interact. energy: -0.196
local terms energy: -229.925514
where:
bonds (distance) C4'-P energy: -43.278
bonds (distance) P-C4' energy: -48.242
flat angles C4'-P-C4' energy: -49.415
flat angles P-C4'-P energy: -21.828
tors. eta vs tors. theta energy: -67.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -748.662918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.662918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.662918 (E_RNA)
where:
Base-Base interactions energy: -518.042
where: short stacking energy: -208.413
Base-Backbone interact. energy: -1.366
local terms energy: -229.255206
where:
bonds (distance) C4'-P energy: -40.511
bonds (distance) P-C4' energy: -53.683
flat angles C4'-P-C4' energy: -48.834
flat angles P-C4'-P energy: -33.922
tors. eta vs tors. theta energy: -52.305
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: 4
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -669.777092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.777092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.777092 (E_RNA)
where:
Base-Base interactions energy: -464.409
where: short stacking energy: -184.452
Base-Backbone interact. energy: -0.768
local terms energy: -204.600035
where:
bonds (distance) C4'-P energy: -40.151
bonds (distance) P-C4' energy: -46.927
flat angles C4'-P-C4' energy: -42.590
flat angles P-C4'-P energy: -31.682
tors. eta vs tors. theta energy: -43.251
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: 97
Temperature: 1.300000
Total energy: -556.229295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.229295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.229295 (E_RNA)
where:
Base-Base interactions energy: -363.198
where: short stacking energy: -170.430
Base-Backbone interact. energy: 5.339
local terms energy: -198.370103
where:
bonds (distance) C4'-P energy: -41.119
bonds (distance) P-C4' energy: -47.030
flat angles C4'-P-C4' energy: -41.293
flat angles P-C4'-P energy: -33.842
tors. eta vs tors. theta energy: -35.087
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: 10, replica: 6
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -264.864403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.864403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.864403 (E_RNA)
where:
Base-Base interactions energy: -117.814
where: short stacking energy: -84.799
Base-Backbone interact. energy: -0.764
local terms energy: -146.286187
where:
bonds (distance) C4'-P energy: -44.731
bonds (distance) P-C4' energy: -47.806
flat angles C4'-P-C4' energy: -38.829
flat angles P-C4'-P energy: -18.274
tors. eta vs tors. theta energy: 3.355
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: 8
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -917.603011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.603011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.603011 (E_RNA)
where:
Base-Base interactions energy: -633.547
where: short stacking energy: -273.072
Base-Backbone interact. energy: -0.340
local terms energy: -283.715206
where:
bonds (distance) C4'-P energy: -54.400
bonds (distance) P-C4' energy: -54.252
flat angles C4'-P-C4' energy: -55.681
flat angles P-C4'-P energy: -38.660
tors. eta vs tors. theta energy: -80.722
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: 7
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -861.199448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.199448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.199448 (E_RNA)
where:
Base-Base interactions energy: -594.578
where: short stacking energy: -248.476
Base-Backbone interact. energy: 0.790
local terms energy: -267.411510
where:
bonds (distance) C4'-P energy: -57.291
bonds (distance) P-C4' energy: -43.861
flat angles C4'-P-C4' energy: -59.937
flat angles P-C4'-P energy: -41.815
tors. eta vs tors. theta energy: -64.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -879.141554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.141554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.141554 (E_RNA)
where:
Base-Base interactions energy: -611.944
where: short stacking energy: -243.786
Base-Backbone interact. energy: -0.130
local terms energy: -267.067740
where:
bonds (distance) C4'-P energy: -47.275
bonds (distance) P-C4' energy: -54.889
flat angles C4'-P-C4' energy: -58.796
flat angles P-C4'-P energy: -41.913
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: 4, replica: 3
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -843.549772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.549772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.549772 (E_RNA)
where:
Base-Base interactions energy: -599.190
where: short stacking energy: -247.447
Base-Backbone interact. energy: -0.935
local terms energy: -243.424724
where:
bonds (distance) C4'-P energy: -44.440
bonds (distance) P-C4' energy: -46.600
flat angles C4'-P-C4' energy: -46.582
flat angles P-C4'-P energy: -34.662
tors. eta vs tors. theta energy: -71.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -820.682118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.682118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.682118 (E_RNA)
where:
Base-Base interactions energy: -569.823
where: short stacking energy: -255.315
Base-Backbone interact. energy: -1.025
local terms energy: -249.834222
where:
bonds (distance) C4'-P energy: -48.085
bonds (distance) P-C4' energy: -46.488
flat angles C4'-P-C4' energy: -51.614
flat angles P-C4'-P energy: -31.426
tors. eta vs tors. theta energy: -72.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -783.555472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.555472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.555472 (E_RNA)
where:
Base-Base interactions energy: -542.252
where: short stacking energy: -226.710
Base-Backbone interact. energy: 0.018
local terms energy: -241.321856
where:
bonds (distance) C4'-P energy: -42.033
bonds (distance) P-C4' energy: -48.833
flat angles C4'-P-C4' energy: -48.581
flat angles P-C4'-P energy: -31.353
tors. eta vs tors. theta energy: -70.522
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: 10
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -752.041960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.041960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.041960 (E_RNA)
where:
Base-Base interactions energy: -499.148
where: short stacking energy: -198.897
Base-Backbone interact. energy: -0.768
local terms energy: -252.126024
where:
bonds (distance) C4'-P energy: -54.522
bonds (distance) P-C4' energy: -51.583
flat angles C4'-P-C4' energy: -58.240
flat angles P-C4'-P energy: -35.821
tors. eta vs tors. theta energy: -51.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -696.129103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.129103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.129103 (E_RNA)
where:
Base-Base interactions energy: -476.136
where: short stacking energy: -203.541
Base-Backbone interact. energy: 2.876
local terms energy: -222.870062
where:
bonds (distance) C4'-P energy: -48.769
bonds (distance) P-C4' energy: -45.586
flat angles C4'-P-C4' energy: -48.494
flat angles P-C4'-P energy: -31.933
tors. eta vs tors. theta energy: -48.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -532.289530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.289530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.289530 (E_RNA)
where:
Base-Base interactions energy: -352.719
where: short stacking energy: -145.729
Base-Backbone interact. energy: -1.434
local terms energy: -178.136265
where:
bonds (distance) C4'-P energy: -34.479
bonds (distance) P-C4' energy: -43.669
flat angles C4'-P-C4' energy: -47.631
flat angles P-C4'-P energy: -29.845
tors. eta vs tors. theta energy: -22.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -287.717753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.717753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.717753 (E_RNA)
where:
Base-Base interactions energy: -134.174
where: short stacking energy: -79.244
Base-Backbone interact. energy: 3.694
local terms energy: -157.238115
where:
bonds (distance) C4'-P energy: -49.341
bonds (distance) P-C4' energy: -43.275
flat angles C4'-P-C4' energy: -44.407
flat angles P-C4'-P energy: -19.046
tors. eta vs tors. theta energy: -1.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -922.835692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.835692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.835692 (E_RNA)
where:
Base-Base interactions energy: -631.547
where: short stacking energy: -283.675
Base-Backbone interact. energy: -1.224
local terms energy: -290.064697
where:
bonds (distance) C4'-P energy: -61.058
bonds (distance) P-C4' energy: -50.051
flat angles C4'-P-C4' energy: -54.841
flat angles P-C4'-P energy: -41.645
tors. eta vs tors. theta energy: -82.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -890.419575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.419575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.419575 (E_RNA)
where:
Base-Base interactions energy: -622.329
where: short stacking energy: -267.815
Base-Backbone interact. energy: -0.738
local terms energy: -267.353342
where:
bonds (distance) C4'-P energy: -51.935
bonds (distance) P-C4' energy: -43.472
flat angles C4'-P-C4' energy: -63.141
flat angles P-C4'-P energy: -37.748
tors. eta vs tors. theta energy: -71.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -843.801336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.801336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.801336 (E_RNA)
where:
Base-Base interactions energy: -575.336
where: short stacking energy: -261.656
Base-Backbone interact. energy: -0.642
local terms energy: -267.823012
where:
bonds (distance) C4'-P energy: -54.031
bonds (distance) P-C4' energy: -41.318
flat angles C4'-P-C4' energy: -58.827
flat angles P-C4'-P energy: -43.319
tors. eta vs tors. theta energy: -70.328
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: 3
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -829.240178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.240178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.240178 (E_RNA)
where:
Base-Base interactions energy: -569.437
where: short stacking energy: -244.805
Base-Backbone interact. energy: -0.699
local terms energy: -259.104458
where:
bonds (distance) C4'-P energy: -46.330
bonds (distance) P-C4' energy: -52.050
flat angles C4'-P-C4' energy: -59.649
flat angles P-C4'-P energy: -37.924
tors. eta vs tors. theta energy: -63.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -816.871446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.871446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.871446 (E_RNA)
where:
Base-Base interactions energy: -579.869
where: short stacking energy: -265.902
Base-Backbone interact. energy: -0.371
local terms energy: -236.631997
where:
bonds (distance) C4'-P energy: -39.222
bonds (distance) P-C4' energy: -37.332
flat angles C4'-P-C4' energy: -46.521
flat angles P-C4'-P energy: -33.292
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: 6, replica: 5
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -778.118768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.118768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.118768 (E_RNA)
where:
Base-Base interactions energy: -531.163
where: short stacking energy: -233.276
Base-Backbone interact. energy: 0.812
local terms energy: -247.767872
where:
bonds (distance) C4'-P energy: -57.525
bonds (distance) P-C4' energy: -32.316
flat angles C4'-P-C4' energy: -51.316
flat angles P-C4'-P energy: -36.955
tors. eta vs tors. theta energy: -69.656
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: 7, replica: 10
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -760.213692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.213692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.213692 (E_RNA)
where:
Base-Base interactions energy: -529.053
where: short stacking energy: -215.703
Base-Backbone interact. energy: 0.642
local terms energy: -231.802466
where:
bonds (distance) C4'-P energy: -35.768
bonds (distance) P-C4' energy: -42.107
flat angles C4'-P-C4' energy: -51.602
flat angles P-C4'-P energy: -43.094
tors. eta vs tors. theta energy: -59.232
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: 99
Temperature: 1.250000
Total energy: -698.957457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.957457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.957457 (E_RNA)
where:
Base-Base interactions energy: -500.243
where: short stacking energy: -198.303
Base-Backbone interact. energy: 0.613
local terms energy: -199.328076
where:
bonds (distance) C4'-P energy: -53.661
bonds (distance) P-C4' energy: -26.622
flat angles C4'-P-C4' energy: -38.092
flat angles P-C4'-P energy: -35.012
tors. eta vs tors. theta energy: -45.941
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: 9
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -501.790702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.790702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.790702 (E_RNA)
where:
Base-Base interactions energy: -312.526
where: short stacking energy: -148.742
Base-Backbone interact. energy: 2.684
local terms energy: -191.948364
where:
bonds (distance) C4'-P energy: -34.657
bonds (distance) P-C4' energy: -38.576
flat angles C4'-P-C4' energy: -57.805
flat angles P-C4'-P energy: -31.652
tors. eta vs tors. theta energy: -29.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -278.225868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.225868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.225868 (E_RNA)
where:
Base-Base interactions energy: -136.868
where: short stacking energy: -79.646
Base-Backbone interact. energy: -0.066
local terms energy: -141.292125
where:
bonds (distance) C4'-P energy: -45.207
bonds (distance) P-C4' energy: -51.132
flat angles C4'-P-C4' energy: -25.101
flat angles P-C4'-P energy: -20.797
tors. eta vs tors. theta energy: 0.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -917.775715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.775715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.775715 (E_RNA)
where:
Base-Base interactions energy: -619.532
where: short stacking energy: -269.870
Base-Backbone interact. energy: -0.202
local terms energy: -298.042008
where:
bonds (distance) C4'-P energy: -55.726
bonds (distance) P-C4' energy: -54.233
flat angles C4'-P-C4' energy: -61.222
flat angles P-C4'-P energy: -42.431
tors. eta vs tors. theta energy: -84.430
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: 2
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -877.126249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.126249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.126249 (E_RNA)
where:
Base-Base interactions energy: -604.021
where: short stacking energy: -248.553
Base-Backbone interact. energy: -0.796
local terms energy: -272.309506
where:
bonds (distance) C4'-P energy: -54.825
bonds (distance) P-C4' energy: -50.451
flat angles C4'-P-C4' energy: -61.012
flat angles P-C4'-P energy: -38.817
tors. eta vs tors. theta energy: -67.205
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: 3
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -854.073908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.073908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.073908 (E_RNA)
where:
Base-Base interactions energy: -577.484
where: short stacking energy: -251.951
Base-Backbone interact. energy: -0.412
local terms energy: -276.178030
where:
bonds (distance) C4'-P energy: -52.516
bonds (distance) P-C4' energy: -53.892
flat angles C4'-P-C4' energy: -55.728
flat angles P-C4'-P energy: -39.566
tors. eta vs tors. theta energy: -74.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -834.745644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.745644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.745644 (E_RNA)
where:
Base-Base interactions energy: -560.238
where: short stacking energy: -242.464
Base-Backbone interact. energy: -0.575
local terms energy: -273.931811
where:
bonds (distance) C4'-P energy: -53.600
bonds (distance) P-C4' energy: -52.948
flat angles C4'-P-C4' energy: -53.592
flat angles P-C4'-P energy: -44.956
tors. eta vs tors. theta energy: -68.836
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: 1
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -830.188873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.188873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.188873 (E_RNA)
where:
Base-Base interactions energy: -558.250
where: short stacking energy: -257.740
Base-Backbone interact. energy: 0.049
local terms energy: -271.987357
where:
bonds (distance) C4'-P energy: -50.460
bonds (distance) P-C4' energy: -53.748
flat angles C4'-P-C4' energy: -51.768
flat angles P-C4'-P energy: -39.655
tors. eta vs tors. theta energy: -76.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -776.980624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.980624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.980624 (E_RNA)
where:
Base-Base interactions energy: -543.981
where: short stacking energy: -225.910
Base-Backbone interact. energy: -1.044
local terms energy: -231.955091
where:
bonds (distance) C4'-P energy: -43.952
bonds (distance) P-C4' energy: -50.884
flat angles C4'-P-C4' energy: -40.121
flat angles P-C4'-P energy: -31.279
tors. eta vs tors. theta energy: -65.718
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: 10
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -751.744344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.744344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.744344 (E_RNA)
where:
Base-Base interactions energy: -511.056
where: short stacking energy: -202.236
Base-Backbone interact. energy: -1.441
local terms energy: -239.247146
where:
bonds (distance) C4'-P energy: -52.734
bonds (distance) P-C4' energy: -45.148
flat angles C4'-P-C4' energy: -48.203
flat angles P-C4'-P energy: -38.774
tors. eta vs tors. theta energy: -54.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -677.685798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.685798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.685798 (E_RNA)
where:
Base-Base interactions energy: -467.121
where: short stacking energy: -185.214
Base-Backbone interact. energy: 1.766
local terms energy: -212.330632
where:
bonds (distance) C4'-P energy: -40.581
bonds (distance) P-C4' energy: -46.505
flat angles C4'-P-C4' energy: -50.678
flat angles P-C4'-P energy: -28.999
tors. eta vs tors. theta energy: -45.569
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: 100
Temperature: 1.300000
Total energy: -533.872194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.872194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.872194 (E_RNA)
where:
Base-Base interactions energy: -344.855
where: short stacking energy: -165.400
Base-Backbone interact. energy: -0.009
local terms energy: -189.008544
where:
bonds (distance) C4'-P energy: -40.728
bonds (distance) P-C4' energy: -51.617
flat angles C4'-P-C4' energy: -34.416
flat angles P-C4'-P energy: -20.269
tors. eta vs tors. theta energy: -41.980
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: 6
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -234.640318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.640318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.640318 (E_RNA)
where:
Base-Base interactions energy: -103.191
where: short stacking energy: -66.218
Base-Backbone interact. energy: -0.471
local terms energy: -130.978551
where:
bonds (distance) C4'-P energy: -44.466
bonds (distance) P-C4' energy: -36.419
flat angles C4'-P-C4' energy: -36.475
flat angles P-C4'-P energy: -27.841
tors. eta vs tors. theta energy: 14.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -906.044428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.044428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.044428 (E_RNA)
where:
Base-Base interactions energy: -622.486
where: short stacking energy: -263.892
Base-Backbone interact. energy: -1.125
local terms energy: -282.433160
where:
bonds (distance) C4'-P energy: -45.706
bonds (distance) P-C4' energy: -58.577
flat angles C4'-P-C4' energy: -54.993
flat angles P-C4'-P energy: -46.957
tors. eta vs tors. theta energy: -76.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -861.047350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.047350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.047350 (E_RNA)
where:
Base-Base interactions energy: -597.797
where: short stacking energy: -241.107
Base-Backbone interact. energy: -0.970
local terms energy: -262.279660
where:
bonds (distance) C4'-P energy: -55.436
bonds (distance) P-C4' energy: -47.850
flat angles C4'-P-C4' energy: -49.322
flat angles P-C4'-P energy: -45.193
tors. eta vs tors. theta energy: -64.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -859.045540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.045540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.045540 (E_RNA)
where:
Base-Base interactions energy: -612.836
where: short stacking energy: -255.936
Base-Backbone interact. energy: 0.050
local terms energy: -246.258734
where:
bonds (distance) C4'-P energy: -42.878
bonds (distance) P-C4' energy: -48.028
flat angles C4'-P-C4' energy: -55.103
flat angles P-C4'-P energy: -39.555
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: 4, replica: 1
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -853.838292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.838292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.838292 (E_RNA)
where:
Base-Base interactions energy: -580.929
where: short stacking energy: -274.310
Base-Backbone interact. energy: 1.034
local terms energy: -273.943758
where:
bonds (distance) C4'-P energy: -48.356
bonds (distance) P-C4' energy: -53.192
flat angles C4'-P-C4' energy: -59.374
flat angles P-C4'-P energy: -33.410
tors. eta vs tors. theta energy: -79.611
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: 7
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -812.860926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.860926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.860926 (E_RNA)
where:
Base-Base interactions energy: -566.350
where: short stacking energy: -239.389
Base-Backbone interact. energy: -1.084
local terms energy: -245.426368
where:
bonds (distance) C4'-P energy: -37.697
bonds (distance) P-C4' energy: -54.611
flat angles C4'-P-C4' energy: -53.950
flat angles P-C4'-P energy: -33.659
tors. eta vs tors. theta energy: -65.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -742.579679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.579679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.579679 (E_RNA)
where:
Base-Base interactions energy: -506.380
where: short stacking energy: -213.298
Base-Backbone interact. energy: -0.792
local terms energy: -235.407118
where:
bonds (distance) C4'-P energy: -48.049
bonds (distance) P-C4' energy: -42.081
flat angles C4'-P-C4' energy: -55.394
flat angles P-C4'-P energy: -34.470
tors. eta vs tors. theta energy: -55.413
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: 7, replica: 5
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -777.317358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.317358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.317358 (E_RNA)
where:
Base-Base interactions energy: -530.376
where: short stacking energy: -225.793
Base-Backbone interact. energy: -0.935
local terms energy: -246.006932
where:
bonds (distance) C4'-P energy: -48.944
bonds (distance) P-C4' energy: -44.604
flat angles C4'-P-C4' energy: -53.268
flat angles P-C4'-P energy: -30.478
tors. eta vs tors. theta energy: -68.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -706.075613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.075613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.075613 (E_RNA)
where:
Base-Base interactions energy: -477.449
where: short stacking energy: -190.761
Base-Backbone interact. energy: -1.563
local terms energy: -227.064106
where:
bonds (distance) C4'-P energy: -51.069
bonds (distance) P-C4' energy: -39.599
flat angles C4'-P-C4' energy: -45.841
flat angles P-C4'-P energy: -40.755
tors. eta vs tors. theta energy: -49.799
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: 9
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -521.798367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.798367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.798367 (E_RNA)
where:
Base-Base interactions energy: -321.650
where: short stacking energy: -149.541
Base-Backbone interact. energy: 5.116
local terms energy: -205.264556
where:
bonds (distance) C4'-P energy: -42.072
bonds (distance) P-C4' energy: -56.179
flat angles C4'-P-C4' energy: -35.858
flat angles P-C4'-P energy: -35.534
tors. eta vs tors. theta energy: -35.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -219.765512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.765512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.765512 (E_RNA)
where:
Base-Base interactions energy: -83.751
where: short stacking energy: -57.040
Base-Backbone interact. energy: 1.315
local terms energy: -137.329217
where:
bonds (distance) C4'-P energy: -50.327
bonds (distance) P-C4' energy: -47.060
flat angles C4'-P-C4' energy: -30.146
flat angles P-C4'-P energy: -18.177
tors. eta vs tors. theta energy: 8.379
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: 3
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -901.018848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.018848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.018848 (E_RNA)
where:
Base-Base interactions energy: -617.488
where: short stacking energy: -270.269
Base-Backbone interact. energy: -0.527
local terms energy: -283.003967
where:
bonds (distance) C4'-P energy: -53.964
bonds (distance) P-C4' energy: -56.564
flat angles C4'-P-C4' energy: -59.838
flat angles P-C4'-P energy: -40.471
tors. eta vs tors. theta energy: -72.167
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: 8
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -903.509960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.509960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.509960 (E_RNA)
where:
Base-Base interactions energy: -607.729
where: short stacking energy: -275.337
Base-Backbone interact. energy: -1.300
local terms energy: -294.481488
where:
bonds (distance) C4'-P energy: -51.473
bonds (distance) P-C4' energy: -56.135
flat angles C4'-P-C4' energy: -61.369
flat angles P-C4'-P energy: -43.999
tors. eta vs tors. theta energy: -81.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -866.899797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.899797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.899797 (E_RNA)
where:
Base-Base interactions energy: -581.917
where: short stacking energy: -264.094
Base-Backbone interact. energy: -0.697
local terms energy: -284.286209
where:
bonds (distance) C4'-P energy: -48.149
bonds (distance) P-C4' energy: -59.021
flat angles C4'-P-C4' energy: -53.234
flat angles P-C4'-P energy: -45.315
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: 4, replica: 2
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -843.387557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.387557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.387557 (E_RNA)
where:
Base-Base interactions energy: -587.815
where: short stacking energy: -226.482
Base-Backbone interact. energy: -1.991
local terms energy: -253.581596
where:
bonds (distance) C4'-P energy: -52.525
bonds (distance) P-C4' energy: -47.479
flat angles C4'-P-C4' energy: -61.902
flat angles P-C4'-P energy: -35.043
tors. eta vs tors. theta energy: -56.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -800.562441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.562441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.562441 (E_RNA)
where:
Base-Base interactions energy: -564.815
where: short stacking energy: -237.091
Base-Backbone interact. energy: 0.405
local terms energy: -236.152963
where:
bonds (distance) C4'-P energy: -33.993
bonds (distance) P-C4' energy: -55.507
flat angles C4'-P-C4' energy: -48.342
flat angles P-C4'-P energy: -37.312
tors. eta vs tors. theta energy: -60.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -753.497552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.497552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.497552 (E_RNA)
where:
Base-Base interactions energy: -523.805
where: short stacking energy: -220.854
Base-Backbone interact. energy: -1.973
local terms energy: -227.719907
where:
bonds (distance) C4'-P energy: -45.315
bonds (distance) P-C4' energy: -46.423
flat angles C4'-P-C4' energy: -53.509
flat angles P-C4'-P energy: -29.091
tors. eta vs tors. theta energy: -53.381
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: 5
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -741.023011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.023011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.023011 (E_RNA)
where:
Base-Base interactions energy: -502.950
where: short stacking energy: -216.527
Base-Backbone interact. energy: 1.008
local terms energy: -239.080532
where:
bonds (distance) C4'-P energy: -52.123
bonds (distance) P-C4' energy: -45.841
flat angles C4'-P-C4' energy: -47.598
flat angles P-C4'-P energy: -31.726
tors. eta vs tors. theta energy: -61.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -697.521752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.521752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.521752 (E_RNA)
where:
Base-Base interactions energy: -474.025
where: short stacking energy: -198.652
Base-Backbone interact. energy: -1.093
local terms energy: -222.403252
where:
bonds (distance) C4'-P energy: -33.366
bonds (distance) P-C4' energy: -59.051
flat angles C4'-P-C4' energy: -47.284
flat angles P-C4'-P energy: -30.506
tors. eta vs tors. theta energy: -52.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -528.106701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.106701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.106701 (E_RNA)
where:
Base-Base interactions energy: -347.323
where: short stacking energy: -163.874
Base-Backbone interact. energy: 0.701
local terms energy: -181.483916
where:
bonds (distance) C4'-P energy: -45.216
bonds (distance) P-C4' energy: -45.665
flat angles C4'-P-C4' energy: -35.583
flat angles P-C4'-P energy: -26.329
tors. eta vs tors. theta energy: -28.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -235.754669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.754669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.754669 (E_RNA)
where:
Base-Base interactions energy: -69.251
where: short stacking energy: -63.765
Base-Backbone interact. energy: -0.449
local terms energy: -166.055121
where:
bonds (distance) C4'-P energy: -40.900
bonds (distance) P-C4' energy: -52.931
flat angles C4'-P-C4' energy: -41.919
flat angles P-C4'-P energy: -34.358
tors. eta vs tors. theta energy: 4.052
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: 103
Temperature: 0.900000
Total energy: -892.414516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.414516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.414516 (E_RNA)
where:
Base-Base interactions energy: -607.302
where: short stacking energy: -262.977
Base-Backbone interact. energy: -0.237
local terms energy: -284.875024
where:
bonds (distance) C4'-P energy: -58.710
bonds (distance) P-C4' energy: -57.832
flat angles C4'-P-C4' energy: -49.110
flat angles P-C4'-P energy: -47.011
tors. eta vs tors. theta energy: -72.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -913.955644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.955644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.955644 (E_RNA)
where:
Base-Base interactions energy: -644.947
where: short stacking energy: -265.418
Base-Backbone interact. energy: 0.458
local terms energy: -269.467364
where:
bonds (distance) C4'-P energy: -43.399
bonds (distance) P-C4' energy: -47.586
flat angles C4'-P-C4' energy: -59.296
flat angles P-C4'-P energy: -38.962
tors. eta vs tors. theta energy: -80.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -863.916421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.916421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.916421 (E_RNA)
where:
Base-Base interactions energy: -602.994
where: short stacking energy: -261.757
Base-Backbone interact. energy: 1.418
local terms energy: -262.340702
where:
bonds (distance) C4'-P energy: -41.736
bonds (distance) P-C4' energy: -46.136
flat angles C4'-P-C4' energy: -63.084
flat angles P-C4'-P energy: -34.438
tors. eta vs tors. theta energy: -76.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -878.517193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.517193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.517193 (E_RNA)
where:
Base-Base interactions energy: -627.804
where: short stacking energy: -266.076
Base-Backbone interact. energy: -0.770
local terms energy: -249.943650
where:
bonds (distance) C4'-P energy: -39.162
bonds (distance) P-C4' energy: -46.744
flat angles C4'-P-C4' energy: -50.341
flat angles P-C4'-P energy: -45.348
tors. eta vs tors. theta energy: -68.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -830.416916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.416916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.416916 (E_RNA)
where:
Base-Base interactions energy: -564.718
where: short stacking energy: -226.217
Base-Backbone interact. energy: -0.822
local terms energy: -264.876687
where:
bonds (distance) C4'-P energy: -54.472
bonds (distance) P-C4' energy: -44.148
flat angles C4'-P-C4' energy: -59.700
flat angles P-C4'-P energy: -43.743
tors. eta vs tors. theta energy: -62.814
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: 5
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -768.594575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.594575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.594575 (E_RNA)
where:
Base-Base interactions energy: -524.482
where: short stacking energy: -218.149
Base-Backbone interact. energy: 1.014
local terms energy: -245.126057
where:
bonds (distance) C4'-P energy: -41.579
bonds (distance) P-C4' energy: -49.935
flat angles C4'-P-C4' energy: -47.337
flat angles P-C4'-P energy: -35.138
tors. eta vs tors. theta energy: -71.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -722.469050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.469050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.469050 (E_RNA)
where:
Base-Base interactions energy: -508.212
where: short stacking energy: -208.580
Base-Backbone interact. energy: -0.738
local terms energy: -213.518439
where:
bonds (distance) C4'-P energy: -31.333
bonds (distance) P-C4' energy: -40.066
flat angles C4'-P-C4' energy: -54.226
flat angles P-C4'-P energy: -32.759
tors. eta vs tors. theta energy: -55.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -722.653196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.653196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.653196 (E_RNA)
where:
Base-Base interactions energy: -476.012
where: short stacking energy: -203.150
Base-Backbone interact. energy: 0.144
local terms energy: -246.785391
where:
bonds (distance) C4'-P energy: -45.318
bonds (distance) P-C4' energy: -54.105
flat angles C4'-P-C4' energy: -57.773
flat angles P-C4'-P energy: -33.920
tors. eta vs tors. theta energy: -55.669
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: 103
Temperature: 1.300000
Total energy: -492.817090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.817090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.817090 (E_RNA)
where:
Base-Base interactions energy: -302.600
where: short stacking energy: -144.191
Base-Backbone interact. energy: 4.611
local terms energy: -194.828083
where:
bonds (distance) C4'-P energy: -41.783
bonds (distance) P-C4' energy: -44.362
flat angles C4'-P-C4' energy: -46.301
flat angles P-C4'-P energy: -28.703
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: 10, replica: 6
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -238.589162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.589162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.589162 (E_RNA)
where:
Base-Base interactions energy: -95.138
where: short stacking energy: -68.249
Base-Backbone interact. energy: 9.899
local terms energy: -153.350683
where:
bonds (distance) C4'-P energy: -42.170
bonds (distance) P-C4' energy: -46.121
flat angles C4'-P-C4' energy: -38.727
flat angles P-C4'-P energy: -27.604
tors. eta vs tors. theta energy: 1.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -928.640875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.640875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.640875 (E_RNA)
where:
Base-Base interactions energy: -650.401
where: short stacking energy: -266.055
Base-Backbone interact. energy: 0.788
local terms energy: -279.027215
where:
bonds (distance) C4'-P energy: -46.733
bonds (distance) P-C4' energy: -62.526
flat angles C4'-P-C4' energy: -55.516
flat angles P-C4'-P energy: -40.694
tors. eta vs tors. theta energy: -73.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -868.979046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.979046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.979046 (E_RNA)
where:
Base-Base interactions energy: -591.067
where: short stacking energy: -237.747
Base-Backbone interact. energy: -0.393
local terms energy: -277.518624
where:
bonds (distance) C4'-P energy: -51.018
bonds (distance) P-C4' energy: -62.753
flat angles C4'-P-C4' energy: -54.969
flat angles P-C4'-P energy: -40.778
tors. eta vs tors. theta energy: -68.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -883.628237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.628237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.628237 (E_RNA)
where:
Base-Base interactions energy: -625.797
where: short stacking energy: -258.624
Base-Backbone interact. energy: -0.375
local terms energy: -257.456919
where:
bonds (distance) C4'-P energy: -50.733
bonds (distance) P-C4' energy: -42.868
flat angles C4'-P-C4' energy: -55.473
flat angles P-C4'-P energy: -38.152
tors. eta vs tors. theta energy: -70.232
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: 104
Temperature: 1.050000
Total energy: -869.452314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.452314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.452314 (E_RNA)
where:
Base-Base interactions energy: -592.467
where: short stacking energy: -269.698
Base-Backbone interact. energy: -0.630
local terms energy: -276.355247
where:
bonds (distance) C4'-P energy: -50.095
bonds (distance) P-C4' energy: -48.597
flat angles C4'-P-C4' energy: -56.937
flat angles P-C4'-P energy: -37.859
tors. eta vs tors. theta energy: -82.868
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: 2
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -812.761420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.761420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.761420 (E_RNA)
where:
Base-Base interactions energy: -555.967
where: short stacking energy: -214.542
Base-Backbone interact. energy: 0.078
local terms energy: -256.872047
where:
bonds (distance) C4'-P energy: -51.895
bonds (distance) P-C4' energy: -56.358
flat angles C4'-P-C4' energy: -50.141
flat angles P-C4'-P energy: -41.040
tors. eta vs tors. theta energy: -57.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -767.131891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.131891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.131891 (E_RNA)
where:
Base-Base interactions energy: -521.032
where: short stacking energy: -207.377
Base-Backbone interact. energy: -0.371
local terms energy: -245.729267
where:
bonds (distance) C4'-P energy: -48.481
bonds (distance) P-C4' energy: -46.131
flat angles C4'-P-C4' energy: -56.589
flat angles P-C4'-P energy: -35.209
tors. eta vs tors. theta energy: -59.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -717.869705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.869705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.869705 (E_RNA)
where:
Base-Base interactions energy: -484.184
where: short stacking energy: -209.797
Base-Backbone interact. energy: 1.822
local terms energy: -235.507620
where:
bonds (distance) C4'-P energy: -42.318
bonds (distance) P-C4' energy: -50.318
flat angles C4'-P-C4' energy: -56.906
flat angles P-C4'-P energy: -41.399
tors. eta vs tors. theta energy: -44.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -716.165119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.165119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.165119 (E_RNA)
where:
Base-Base interactions energy: -513.033
where: short stacking energy: -197.102
Base-Backbone interact. energy: -1.004
local terms energy: -202.127655
where:
bonds (distance) C4'-P energy: -42.040
bonds (distance) P-C4' energy: -42.850
flat angles C4'-P-C4' energy: -42.395
flat angles P-C4'-P energy: -29.929
tors. eta vs tors. theta energy: -44.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -537.798798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.798798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.798798 (E_RNA)
where:
Base-Base interactions energy: -335.099
where: short stacking energy: -152.029
Base-Backbone interact. energy: 1.275
local terms energy: -203.974409
where:
bonds (distance) C4'-P energy: -45.277
bonds (distance) P-C4' energy: -48.148
flat angles C4'-P-C4' energy: -46.234
flat angles P-C4'-P energy: -29.173
tors. eta vs tors. theta energy: -35.142
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: 6
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -250.588214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.588214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.588214 (E_RNA)
where:
Base-Base interactions energy: -93.699
where: short stacking energy: -82.145
Base-Backbone interact. energy: 0.060
local terms energy: -156.949079
where:
bonds (distance) C4'-P energy: -37.856
bonds (distance) P-C4' energy: -49.599
flat angles C4'-P-C4' energy: -37.568
flat angles P-C4'-P energy: -23.569
tors. eta vs tors. theta energy: -8.357
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: 8
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -939.358827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.358827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.358827 (E_RNA)
where:
Base-Base interactions energy: -654.741
where: short stacking energy: -278.658
Base-Backbone interact. energy: -0.473
local terms energy: -284.145310
where:
bonds (distance) C4'-P energy: -54.881
bonds (distance) P-C4' energy: -46.889
flat angles C4'-P-C4' energy: -59.327
flat angles P-C4'-P energy: -40.094
tors. eta vs tors. theta energy: -82.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -899.246759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.246759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.246759 (E_RNA)
where:
Base-Base interactions energy: -623.707
where: short stacking energy: -249.195
Base-Backbone interact. energy: -0.202
local terms energy: -275.337772
where:
bonds (distance) C4'-P energy: -44.337
bonds (distance) P-C4' energy: -62.662
flat angles C4'-P-C4' energy: -56.123
flat angles P-C4'-P energy: -44.714
tors. eta vs tors. theta energy: -67.502
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: 105
Temperature: 1.000000
Total energy: -844.149118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.149118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.149118 (E_RNA)
where:
Base-Base interactions energy: -574.915
where: short stacking energy: -234.997
Base-Backbone interact. energy: -1.584
local terms energy: -267.649862
where:
bonds (distance) C4'-P energy: -50.637
bonds (distance) P-C4' energy: -52.708
flat angles C4'-P-C4' energy: -60.334
flat angles P-C4'-P energy: -34.353
tors. eta vs tors. theta energy: -69.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -820.615797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.615797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.615797 (E_RNA)
where:
Base-Base interactions energy: -575.550
where: short stacking energy: -239.269
Base-Backbone interact. energy: -0.787
local terms energy: -244.278566
where:
bonds (distance) C4'-P energy: -43.414
bonds (distance) P-C4' energy: -51.567
flat angles C4'-P-C4' energy: -57.996
flat angles P-C4'-P energy: -28.863
tors. eta vs tors. theta energy: -62.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -828.082440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.082440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.082440 (E_RNA)
where:
Base-Base interactions energy: -561.402
where: short stacking energy: -235.680
Base-Backbone interact. energy: 2.168
local terms energy: -268.848644
where:
bonds (distance) C4'-P energy: -51.541
bonds (distance) P-C4' energy: -51.545
flat angles C4'-P-C4' energy: -57.411
flat angles P-C4'-P energy: -41.907
tors. eta vs tors. theta energy: -66.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -755.391312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.391312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.391312 (E_RNA)
where:
Base-Base interactions energy: -517.209
where: short stacking energy: -233.670
Base-Backbone interact. energy: -1.065
local terms energy: -237.117429
where:
bonds (distance) C4'-P energy: -49.574
bonds (distance) P-C4' energy: -46.250
flat angles C4'-P-C4' energy: -49.072
flat angles P-C4'-P energy: -36.330
tors. eta vs tors. theta energy: -55.892
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: 7, replica: 4
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -704.418019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.418019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.418019 (E_RNA)
where:
Base-Base interactions energy: -487.325
where: short stacking energy: -203.873
Base-Backbone interact. energy: -0.906
local terms energy: -216.186863
where:
bonds (distance) C4'-P energy: -41.871
bonds (distance) P-C4' energy: -51.688
flat angles C4'-P-C4' energy: -46.484
flat angles P-C4'-P energy: -27.636
tors. eta vs tors. theta energy: -48.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -680.406145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.406145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.406145 (E_RNA)
where:
Base-Base interactions energy: -443.857
where: short stacking energy: -176.944
Base-Backbone interact. energy: -1.182
local terms energy: -235.366237
where:
bonds (distance) C4'-P energy: -46.017
bonds (distance) P-C4' energy: -55.153
flat angles C4'-P-C4' energy: -55.043
flat angles P-C4'-P energy: -33.743
tors. eta vs tors. theta energy: -45.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -541.557581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.557581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.557581 (E_RNA)
where:
Base-Base interactions energy: -364.583
where: short stacking energy: -158.591
Base-Backbone interact. energy: 0.902
local terms energy: -177.876292
where:
bonds (distance) C4'-P energy: -39.499
bonds (distance) P-C4' energy: -39.316
flat angles C4'-P-C4' energy: -44.629
flat angles P-C4'-P energy: -18.569
tors. eta vs tors. theta energy: -35.863
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: 10, replica: 6
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -211.741271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.741271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.741271 (E_RNA)
where:
Base-Base interactions energy: -70.101
where: short stacking energy: -63.235
Base-Backbone interact. energy: -1.540
local terms energy: -140.101190
where:
bonds (distance) C4'-P energy: -38.941
bonds (distance) P-C4' energy: -44.880
flat angles C4'-P-C4' energy: -51.955
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: 7.670
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: 8
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -945.449916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.449916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.449916 (E_RNA)
where:
Base-Base interactions energy: -650.007
where: short stacking energy: -280.621
Base-Backbone interact. energy: -1.701
local terms energy: -293.741031
where:
bonds (distance) C4'-P energy: -52.518
bonds (distance) P-C4' energy: -59.258
flat angles C4'-P-C4' energy: -58.855
flat angles P-C4'-P energy: -40.391
tors. eta vs tors. theta energy: -82.719
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: 7
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -907.823078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.823078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.823078 (E_RNA)
where:
Base-Base interactions energy: -637.293
where: short stacking energy: -257.158
Base-Backbone interact. energy: -2.510
local terms energy: -268.019746
where:
bonds (distance) C4'-P energy: -52.194
bonds (distance) P-C4' energy: -53.683
flat angles C4'-P-C4' energy: -59.877
flat angles P-C4'-P energy: -37.997
tors. eta vs tors. theta energy: -64.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -871.907312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.907312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.907312 (E_RNA)
where:
Base-Base interactions energy: -603.384
where: short stacking energy: -258.938
Base-Backbone interact. energy: -1.214
local terms energy: -267.309381
where:
bonds (distance) C4'-P energy: -46.806
bonds (distance) P-C4' energy: -51.736
flat angles C4'-P-C4' energy: -62.329
flat angles P-C4'-P energy: -31.821
tors. eta vs tors. theta energy: -74.617
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: 106
Temperature: 1.050000
Total energy: -850.308441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.308441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.308441 (E_RNA)
where:
Base-Base interactions energy: -587.596
where: short stacking energy: -239.765
Base-Backbone interact. energy: -0.534
local terms energy: -262.178827
where:
bonds (distance) C4'-P energy: -51.725
bonds (distance) P-C4' energy: -57.119
flat angles C4'-P-C4' energy: -48.925
flat angles P-C4'-P energy: -38.165
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: 5, replica: 1
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -783.242888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.242888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.242888 (E_RNA)
where:
Base-Base interactions energy: -544.262
where: short stacking energy: -229.332
Base-Backbone interact. energy: -1.454
local terms energy: -237.527080
where:
bonds (distance) C4'-P energy: -41.021
bonds (distance) P-C4' energy: -42.930
flat angles C4'-P-C4' energy: -58.029
flat angles P-C4'-P energy: -31.626
tors. eta vs tors. theta energy: -63.921
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: 5
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -760.531400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.531400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.531400 (E_RNA)
where:
Base-Base interactions energy: -512.054
where: short stacking energy: -205.402
Base-Backbone interact. energy: 0.997
local terms energy: -249.473741
where:
bonds (distance) C4'-P energy: -50.925
bonds (distance) P-C4' energy: -51.783
flat angles C4'-P-C4' energy: -56.793
flat angles P-C4'-P energy: -33.878
tors. eta vs tors. theta energy: -56.095
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: 4
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -729.616070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.616070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.616070 (E_RNA)
where:
Base-Base interactions energy: -491.956
where: short stacking energy: -209.954
Base-Backbone interact. energy: -1.828
local terms energy: -235.832864
where:
bonds (distance) C4'-P energy: -36.731
bonds (distance) P-C4' energy: -46.944
flat angles C4'-P-C4' energy: -53.667
flat angles P-C4'-P energy: -35.247
tors. eta vs tors. theta energy: -63.243
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: 8, replica: 10
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -680.321037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.321037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.321037 (E_RNA)
where:
Base-Base interactions energy: -471.435
where: short stacking energy: -183.035
Base-Backbone interact. energy: -0.514
local terms energy: -208.372301
where:
bonds (distance) C4'-P energy: -46.373
bonds (distance) P-C4' energy: -40.468
flat angles C4'-P-C4' energy: -42.999
flat angles P-C4'-P energy: -34.964
tors. eta vs tors. theta energy: -43.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -493.613085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.613085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.613085 (E_RNA)
where:
Base-Base interactions energy: -296.315
where: short stacking energy: -134.020
Base-Backbone interact. energy: -0.969
local terms energy: -196.329712
where:
bonds (distance) C4'-P energy: -41.406
bonds (distance) P-C4' energy: -51.430
flat angles C4'-P-C4' energy: -43.652
flat angles P-C4'-P energy: -29.237
tors. eta vs tors. theta energy: -30.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -224.362860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.362860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.362860 (E_RNA)
where:
Base-Base interactions energy: -71.265
where: short stacking energy: -64.538
Base-Backbone interact. energy: 0.455
local terms energy: -153.552798
where:
bonds (distance) C4'-P energy: -44.586
bonds (distance) P-C4' energy: -43.973
flat angles C4'-P-C4' energy: -38.287
flat angles P-C4'-P energy: -31.754
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: 8
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -946.559676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.559676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.559676 (E_RNA)
where:
Base-Base interactions energy: -653.281
where: short stacking energy: -272.188
Base-Backbone interact. energy: 0.133
local terms energy: -293.411922
where:
bonds (distance) C4'-P energy: -49.737
bonds (distance) P-C4' energy: -57.066
flat angles C4'-P-C4' energy: -59.143
flat angles P-C4'-P energy: -45.388
tors. eta vs tors. theta energy: -82.079
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: 7
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -896.290542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.290542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.290542 (E_RNA)
where:
Base-Base interactions energy: -624.697
where: short stacking energy: -254.675
Base-Backbone interact. energy: -1.312
local terms energy: -270.281314
where:
bonds (distance) C4'-P energy: -60.241
bonds (distance) P-C4' energy: -35.428
flat angles C4'-P-C4' energy: -52.039
flat angles P-C4'-P energy: -47.945
tors. eta vs tors. theta energy: -74.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -867.781657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.781657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.781657 (E_RNA)
where:
Base-Base interactions energy: -604.709
where: short stacking energy: -262.923
Base-Backbone interact. energy: -1.080
local terms energy: -261.992802
where:
bonds (distance) C4'-P energy: -47.844
bonds (distance) P-C4' energy: -44.973
flat angles C4'-P-C4' energy: -57.076
flat angles P-C4'-P energy: -40.156
tors. eta vs tors. theta energy: -71.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -836.868563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.868563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.868563 (E_RNA)
where:
Base-Base interactions energy: -579.598
where: short stacking energy: -243.917
Base-Backbone interact. energy: -2.475
local terms energy: -254.795049
where:
bonds (distance) C4'-P energy: -48.953
bonds (distance) P-C4' energy: -40.890
flat angles C4'-P-C4' energy: -56.579
flat angles P-C4'-P energy: -42.862
tors. eta vs tors. theta energy: -65.511
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: 1
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -814.888104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.888104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.888104 (E_RNA)
where:
Base-Base interactions energy: -551.902
where: short stacking energy: -244.594
Base-Backbone interact. energy: -0.604
local terms energy: -262.381711
where:
bonds (distance) C4'-P energy: -51.289
bonds (distance) P-C4' energy: -46.209
flat angles C4'-P-C4' energy: -57.710
flat angles P-C4'-P energy: -37.509
tors. eta vs tors. theta energy: -69.664
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: 5
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -763.601234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.601234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.601234 (E_RNA)
where:
Base-Base interactions energy: -539.245
where: short stacking energy: -225.311
Base-Backbone interact. energy: 0.752
local terms energy: -225.108540
where:
bonds (distance) C4'-P energy: -32.043
bonds (distance) P-C4' energy: -38.734
flat angles C4'-P-C4' energy: -51.178
flat angles P-C4'-P energy: -39.989
tors. eta vs tors. theta energy: -63.165
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: 4
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -718.054482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.054482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.054482 (E_RNA)
where:
Base-Base interactions energy: -499.512
where: short stacking energy: -190.038
Base-Backbone interact. energy: -2.332
local terms energy: -216.210248
where:
bonds (distance) C4'-P energy: -41.085
bonds (distance) P-C4' energy: -41.527
flat angles C4'-P-C4' energy: -56.074
flat angles P-C4'-P energy: -29.885
tors. eta vs tors. theta energy: -47.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -671.872177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.872177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.872177 (E_RNA)
where:
Base-Base interactions energy: -462.438
where: short stacking energy: -183.233
Base-Backbone interact. energy: -0.471
local terms energy: -208.963732
where:
bonds (distance) C4'-P energy: -45.778
bonds (distance) P-C4' energy: -41.590
flat angles C4'-P-C4' energy: -53.287
flat angles P-C4'-P energy: -30.454
tors. eta vs tors. theta energy: -37.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -512.574757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.574757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.574757 (E_RNA)
where:
Base-Base interactions energy: -312.834
where: short stacking energy: -146.575
Base-Backbone interact. energy: 0.032
local terms energy: -199.772892
where:
bonds (distance) C4'-P energy: -50.472
bonds (distance) P-C4' energy: -52.349
flat angles C4'-P-C4' energy: -43.425
flat angles P-C4'-P energy: -19.511
tors. eta vs tors. theta energy: -34.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -239.830827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.830827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.830827 (E_RNA)
where:
Base-Base interactions energy: -93.359
where: short stacking energy: -70.452
Base-Backbone interact. energy: 0.074
local terms energy: -146.545730
where:
bonds (distance) C4'-P energy: -37.727
bonds (distance) P-C4' energy: -41.984
flat angles C4'-P-C4' energy: -37.001
flat angles P-C4'-P energy: -30.046
tors. eta vs tors. theta energy: 0.213
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: 8
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -953.890166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.890166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.890166 (E_RNA)
where:
Base-Base interactions energy: -653.750
where: short stacking energy: -286.230
Base-Backbone interact. energy: -2.073
local terms energy: -298.067315
where:
bonds (distance) C4'-P energy: -54.755
bonds (distance) P-C4' energy: -51.411
flat angles C4'-P-C4' energy: -62.875
flat angles P-C4'-P energy: -46.093
tors. eta vs tors. theta energy: -82.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -896.903909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.903909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.903909 (E_RNA)
where:
Base-Base interactions energy: -619.062
where: short stacking energy: -248.941
Base-Backbone interact. energy: 0.116
local terms energy: -277.957360
where:
bonds (distance) C4'-P energy: -48.835
bonds (distance) P-C4' energy: -52.545
flat angles C4'-P-C4' energy: -61.398
flat angles P-C4'-P energy: -43.900
tors. eta vs tors. theta energy: -71.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -895.307111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.307111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.307111 (E_RNA)
where:
Base-Base interactions energy: -618.009
where: short stacking energy: -265.411
Base-Backbone interact. energy: -0.683
local terms energy: -276.614995
where:
bonds (distance) C4'-P energy: -43.957
bonds (distance) P-C4' energy: -56.750
flat angles C4'-P-C4' energy: -61.690
flat angles P-C4'-P energy: -41.902
tors. eta vs tors. theta energy: -72.316
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: 108
Temperature: 1.050000
Total energy: -827.370626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.370626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.370626 (E_RNA)
where:
Base-Base interactions energy: -561.941
where: short stacking energy: -236.147
Base-Backbone interact. energy: -0.787
local terms energy: -264.642820
where:
bonds (distance) C4'-P energy: -51.458
bonds (distance) P-C4' energy: -48.524
flat angles C4'-P-C4' energy: -61.754
flat angles P-C4'-P energy: -40.050
tors. eta vs tors. theta energy: -62.856
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: 5
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -762.004734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.004734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.004734 (E_RNA)
where:
Base-Base interactions energy: -521.269
where: short stacking energy: -219.423
Base-Backbone interact. energy: -0.133
local terms energy: -240.603347
where:
bonds (distance) C4'-P energy: -51.394
bonds (distance) P-C4' energy: -46.530
flat angles C4'-P-C4' energy: -47.118
flat angles P-C4'-P energy: -36.788
tors. eta vs tors. theta energy: -58.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -779.698956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.698956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.698956 (E_RNA)
where:
Base-Base interactions energy: -556.002
where: short stacking energy: -237.664
Base-Backbone interact. energy: -0.556
local terms energy: -223.141047
where:
bonds (distance) C4'-P energy: -38.918
bonds (distance) P-C4' energy: -35.156
flat angles C4'-P-C4' energy: -51.457
flat angles P-C4'-P energy: -32.439
tors. eta vs tors. theta energy: -65.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -722.901521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.901521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.901521 (E_RNA)
where:
Base-Base interactions energy: -512.876
where: short stacking energy: -201.733
Base-Backbone interact. energy: 0.810
local terms energy: -210.835487
where:
bonds (distance) C4'-P energy: -40.597
bonds (distance) P-C4' energy: -45.460
flat angles C4'-P-C4' energy: -50.833
flat angles P-C4'-P energy: -23.199
tors. eta vs tors. theta energy: -50.747
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: 10
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -687.878881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.878881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.878881 (E_RNA)
where:
Base-Base interactions energy: -480.796
where: short stacking energy: -190.418
Base-Backbone interact. energy: -0.902
local terms energy: -206.180736
where:
bonds (distance) C4'-P energy: -37.690
bonds (distance) P-C4' energy: -44.328
flat angles C4'-P-C4' energy: -45.498
flat angles P-C4'-P energy: -28.371
tors. eta vs tors. theta energy: -50.294
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: 108
Temperature: 1.300000
Total energy: -479.383726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.383726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.383726 (E_RNA)
where:
Base-Base interactions energy: -300.194
where: short stacking energy: -142.679
Base-Backbone interact. energy: -0.923
local terms energy: -178.266770
where:
bonds (distance) C4'-P energy: -47.574
bonds (distance) P-C4' energy: -49.807
flat angles C4'-P-C4' energy: -38.549
flat angles P-C4'-P energy: -20.734
tors. eta vs tors. theta energy: -21.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -226.064265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.064265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.064265 (E_RNA)
where:
Base-Base interactions energy: -73.090
where: short stacking energy: -64.452
Base-Backbone interact. energy: -1.147
local terms energy: -151.827868
where:
bonds (distance) C4'-P energy: -42.844
bonds (distance) P-C4' energy: -53.037
flat angles C4'-P-C4' energy: -37.967
flat angles P-C4'-P energy: -20.421
tors. eta vs tors. theta energy: 2.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -941.800101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.800101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.800101 (E_RNA)
where:
Base-Base interactions energy: -646.373
where: short stacking energy: -259.231
Base-Backbone interact. energy: -0.008
local terms energy: -295.419362
where:
bonds (distance) C4'-P energy: -52.359
bonds (distance) P-C4' energy: -58.408
flat angles C4'-P-C4' energy: -60.679
flat angles P-C4'-P energy: -46.367
tors. eta vs tors. theta energy: -77.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -902.535560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.535560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.535560 (E_RNA)
where:
Base-Base interactions energy: -634.326
where: short stacking energy: -254.253
Base-Backbone interact. energy: -0.111
local terms energy: -268.098225
where:
bonds (distance) C4'-P energy: -47.137
bonds (distance) P-C4' energy: -59.865
flat angles C4'-P-C4' energy: -54.856
flat angles P-C4'-P energy: -39.464
tors. eta vs tors. theta energy: -66.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -867.306540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.306540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.306540 (E_RNA)
where:
Base-Base interactions energy: -590.046
where: short stacking energy: -248.044
Base-Backbone interact. energy: 0.179
local terms energy: -277.440079
where:
bonds (distance) C4'-P energy: -52.108
bonds (distance) P-C4' energy: -52.937
flat angles C4'-P-C4' energy: -62.146
flat angles P-C4'-P energy: -45.310
tors. eta vs tors. theta energy: -64.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -839.083369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.083369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.083369 (E_RNA)
where:
Base-Base interactions energy: -573.262
where: short stacking energy: -248.068
Base-Backbone interact. energy: -0.646
local terms energy: -265.174883
where:
bonds (distance) C4'-P energy: -53.152
bonds (distance) P-C4' energy: -48.787
flat angles C4'-P-C4' energy: -53.899
flat angles P-C4'-P energy: -42.784
tors. eta vs tors. theta energy: -66.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -758.978961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.978961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.978961 (E_RNA)
where:
Base-Base interactions energy: -522.735
where: short stacking energy: -214.829
Base-Backbone interact. energy: -0.794
local terms energy: -235.449393
where:
bonds (distance) C4'-P energy: -46.126
bonds (distance) P-C4' energy: -55.214
flat angles C4'-P-C4' energy: -47.642
flat angles P-C4'-P energy: -30.930
tors. eta vs tors. theta energy: -55.538
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: 6, replica: 1
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -799.409287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.409287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.409287 (E_RNA)
where:
Base-Base interactions energy: -561.207
where: short stacking energy: -241.848
Base-Backbone interact. energy: 0.236
local terms energy: -238.438978
where:
bonds (distance) C4'-P energy: -51.398
bonds (distance) P-C4' energy: -41.256
flat angles C4'-P-C4' energy: -50.782
flat angles P-C4'-P energy: -28.015
tors. eta vs tors. theta energy: -66.987
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: 4
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -700.265083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.265083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.265083 (E_RNA)
where:
Base-Base interactions energy: -484.458
where: short stacking energy: -202.153
Base-Backbone interact. energy: -1.280
local terms energy: -214.526858
where:
bonds (distance) C4'-P energy: -48.580
bonds (distance) P-C4' energy: -36.900
flat angles C4'-P-C4' energy: -53.115
flat angles P-C4'-P energy: -27.007
tors. eta vs tors. theta energy: -48.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -707.652153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.652153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.652153 (E_RNA)
where:
Base-Base interactions energy: -490.689
where: short stacking energy: -186.445
Base-Backbone interact. energy: -1.961
local terms energy: -215.002026
where:
bonds (distance) C4'-P energy: -39.173
bonds (distance) P-C4' energy: -35.099
flat angles C4'-P-C4' energy: -48.733
flat angles P-C4'-P energy: -37.245
tors. eta vs tors. theta energy: -54.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -483.106245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.106245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.106245 (E_RNA)
where:
Base-Base interactions energy: -303.299
where: short stacking energy: -137.388
Base-Backbone interact. energy: 1.320
local terms energy: -181.126537
where:
bonds (distance) C4'-P energy: -44.847
bonds (distance) P-C4' energy: -49.411
flat angles C4'-P-C4' energy: -35.982
flat angles P-C4'-P energy: -22.482
tors. eta vs tors. theta energy: -28.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -269.309559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.309559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.309559 (E_RNA)
where:
Base-Base interactions energy: -112.564
where: short stacking energy: -61.613
Base-Backbone interact. energy: -1.324
local terms energy: -155.421877
where:
bonds (distance) C4'-P energy: -46.597
bonds (distance) P-C4' energy: -37.910
flat angles C4'-P-C4' energy: -46.398
flat angles P-C4'-P energy: -26.060
tors. eta vs tors. theta energy: 1.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -932.075195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.075195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.075195 (E_RNA)
where:
Base-Base interactions energy: -649.083
where: short stacking energy: -276.930
Base-Backbone interact. energy: -2.211
local terms energy: -280.781400
where:
bonds (distance) C4'-P energy: -48.745
bonds (distance) P-C4' energy: -57.590
flat angles C4'-P-C4' energy: -52.891
flat angles P-C4'-P energy: -40.158
tors. eta vs tors. theta energy: -81.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -908.063535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.063535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.063535 (E_RNA)
where:
Base-Base interactions energy: -636.484
where: short stacking energy: -251.360
Base-Backbone interact. energy: -1.517
local terms energy: -270.062937
where:
bonds (distance) C4'-P energy: -53.099
bonds (distance) P-C4' energy: -45.720
flat angles C4'-P-C4' energy: -63.026
flat angles P-C4'-P energy: -44.145
tors. eta vs tors. theta energy: -64.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -849.584808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.584808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.584808 (E_RNA)
where:
Base-Base interactions energy: -593.443
where: short stacking energy: -256.885
Base-Backbone interact. energy: -1.018
local terms energy: -255.124277
where:
bonds (distance) C4'-P energy: -50.407
bonds (distance) P-C4' energy: -47.693
flat angles C4'-P-C4' energy: -55.264
flat angles P-C4'-P energy: -31.688
tors. eta vs tors. theta energy: -70.072
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: 2
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -832.326439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.326439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.326439 (E_RNA)
where:
Base-Base interactions energy: -551.654
where: short stacking energy: -228.146
Base-Backbone interact. energy: -1.244
local terms energy: -279.428866
where:
bonds (distance) C4'-P energy: -55.597
bonds (distance) P-C4' energy: -57.210
flat angles C4'-P-C4' energy: -61.610
flat angles P-C4'-P energy: -36.970
tors. eta vs tors. theta energy: -68.041
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: 5
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -765.848437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.848437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.848437 (E_RNA)
where:
Base-Base interactions energy: -535.846
where: short stacking energy: -221.731
Base-Backbone interact. energy: -1.032
local terms energy: -228.970001
where:
bonds (distance) C4'-P energy: -39.381
bonds (distance) P-C4' energy: -44.486
flat angles C4'-P-C4' energy: -51.339
flat angles P-C4'-P energy: -29.803
tors. eta vs tors. theta energy: -63.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -783.636858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.636858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.636858 (E_RNA)
where:
Base-Base interactions energy: -533.598
where: short stacking energy: -228.327
Base-Backbone interact. energy: 0.135
local terms energy: -250.173814
where:
bonds (distance) C4'-P energy: -49.655
bonds (distance) P-C4' energy: -54.003
flat angles C4'-P-C4' energy: -53.089
flat angles P-C4'-P energy: -34.066
tors. eta vs tors. theta energy: -59.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -766.678260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.678260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.678260 (E_RNA)
where:
Base-Base interactions energy: -531.843
where: short stacking energy: -224.543
Base-Backbone interact. energy: -0.981
local terms energy: -233.854058
where:
bonds (distance) C4'-P energy: -35.537
bonds (distance) P-C4' energy: -48.221
flat angles C4'-P-C4' energy: -51.669
flat angles P-C4'-P energy: -28.274
tors. eta vs tors. theta energy: -70.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -691.006173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.006173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.006173 (E_RNA)
where:
Base-Base interactions energy: -452.333
where: short stacking energy: -187.128
Base-Backbone interact. energy: 2.923
local terms energy: -241.596034
where:
bonds (distance) C4'-P energy: -51.285
bonds (distance) P-C4' energy: -56.933
flat angles C4'-P-C4' energy: -51.660
flat angles P-C4'-P energy: -33.376
tors. eta vs tors. theta energy: -48.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -495.559517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.559517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.559517 (E_RNA)
where:
Base-Base interactions energy: -309.021
where: short stacking energy: -148.303
Base-Backbone interact. energy: 0.946
local terms energy: -187.484086
where:
bonds (distance) C4'-P energy: -44.386
bonds (distance) P-C4' energy: -34.301
flat angles C4'-P-C4' energy: -39.704
flat angles P-C4'-P energy: -39.656
tors. eta vs tors. theta energy: -29.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -243.372535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.372535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.372535 (E_RNA)
where:
Base-Base interactions energy: -116.618
where: short stacking energy: -67.701
Base-Backbone interact. energy: 1.621
local terms energy: -128.375996
where:
bonds (distance) C4'-P energy: -42.796
bonds (distance) P-C4' energy: -53.798
flat angles C4'-P-C4' energy: -44.782
flat angles P-C4'-P energy: -4.905
tors. eta vs tors. theta energy: 17.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -941.187128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.187128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.187128 (E_RNA)
where:
Base-Base interactions energy: -649.882
where: short stacking energy: -274.504
Base-Backbone interact. energy: -0.465
local terms energy: -290.839856
where:
bonds (distance) C4'-P energy: -54.689
bonds (distance) P-C4' energy: -54.323
flat angles C4'-P-C4' energy: -57.451
flat angles P-C4'-P energy: -39.823
tors. eta vs tors. theta energy: -84.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -904.867247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.867247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.867247 (E_RNA)
where:
Base-Base interactions energy: -634.351
where: short stacking energy: -246.171
Base-Backbone interact. energy: 0.599
local terms energy: -271.115408
where:
bonds (distance) C4'-P energy: -53.800
bonds (distance) P-C4' energy: -55.107
flat angles C4'-P-C4' energy: -58.117
flat angles P-C4'-P energy: -37.079
tors. eta vs tors. theta energy: -67.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -847.542954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.542954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.542954 (E_RNA)
where:
Base-Base interactions energy: -575.301
where: short stacking energy: -243.368
Base-Backbone interact. energy: -0.611
local terms energy: -271.630845
where:
bonds (distance) C4'-P energy: -51.604
bonds (distance) P-C4' energy: -53.936
flat angles C4'-P-C4' energy: -53.106
flat angles P-C4'-P energy: -44.578
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: 4, replica: 2
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -849.870047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.870047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.870047 (E_RNA)
where:
Base-Base interactions energy: -593.729
where: short stacking energy: -247.584
Base-Backbone interact. energy: -1.361
local terms energy: -254.779336
where:
bonds (distance) C4'-P energy: -43.897
bonds (distance) P-C4' energy: -46.012
flat angles C4'-P-C4' energy: -59.479
flat angles P-C4'-P energy: -39.511
tors. eta vs tors. theta energy: -65.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -764.335046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.335046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.335046 (E_RNA)
where:
Base-Base interactions energy: -536.217
where: short stacking energy: -204.960
Base-Backbone interact. energy: -3.061
local terms energy: -225.056551
where:
bonds (distance) C4'-P energy: -48.754
bonds (distance) P-C4' energy: -51.063
flat angles C4'-P-C4' energy: -55.721
flat angles P-C4'-P energy: -16.426
tors. eta vs tors. theta energy: -53.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -791.280832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.280832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.280832 (E_RNA)
where:
Base-Base interactions energy: -534.926
where: short stacking energy: -226.460
Base-Backbone interact. energy: -0.639
local terms energy: -255.716287
where:
bonds (distance) C4'-P energy: -49.962
bonds (distance) P-C4' energy: -50.512
flat angles C4'-P-C4' energy: -55.014
flat angles P-C4'-P energy: -39.727
tors. eta vs tors. theta energy: -60.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -746.411903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.411903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.411903 (E_RNA)
where:
Base-Base interactions energy: -510.775
where: short stacking energy: -224.579
Base-Backbone interact. energy: -0.105
local terms energy: -235.531538
where:
bonds (distance) C4'-P energy: -40.370
bonds (distance) P-C4' energy: -45.906
flat angles C4'-P-C4' energy: -54.714
flat angles P-C4'-P energy: -31.784
tors. eta vs tors. theta energy: -62.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -669.468797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.468797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.468797 (E_RNA)
where:
Base-Base interactions energy: -467.736
where: short stacking energy: -190.852
Base-Backbone interact. energy: -0.710
local terms energy: -201.022471
where:
bonds (distance) C4'-P energy: -39.480
bonds (distance) P-C4' energy: -37.770
flat angles C4'-P-C4' energy: -51.102
flat angles P-C4'-P energy: -29.104
tors. eta vs tors. theta energy: -43.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -491.684023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.684023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.684023 (E_RNA)
where:
Base-Base interactions energy: -316.072
where: short stacking energy: -159.083
Base-Backbone interact. energy: -1.630
local terms energy: -173.982705
where:
bonds (distance) C4'-P energy: -30.579
bonds (distance) P-C4' energy: -43.270
flat angles C4'-P-C4' energy: -42.559
flat angles P-C4'-P energy: -28.032
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: 10, replica: 6
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -238.276920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.276920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.276920 (E_RNA)
where:
Base-Base interactions energy: -108.567
where: short stacking energy: -70.363
Base-Backbone interact. energy: 5.535
local terms energy: -135.244305
where:
bonds (distance) C4'-P energy: -47.418
bonds (distance) P-C4' energy: -41.924
flat angles C4'-P-C4' energy: -45.406
flat angles P-C4'-P energy: -9.969
tors. eta vs tors. theta energy: 9.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -942.835163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.835163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.835163 (E_RNA)
where:
Base-Base interactions energy: -655.381
where: short stacking energy: -264.309
Base-Backbone interact. energy: -0.592
local terms energy: -286.862136
where:
bonds (distance) C4'-P energy: -51.067
bonds (distance) P-C4' energy: -50.529
flat angles C4'-P-C4' energy: -59.626
flat angles P-C4'-P energy: -49.942
tors. eta vs tors. theta energy: -75.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -916.193456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.193456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.193456 (E_RNA)
where:
Base-Base interactions energy: -649.614
where: short stacking energy: -275.247
Base-Backbone interact. energy: -0.169
local terms energy: -266.410895
where:
bonds (distance) C4'-P energy: -49.757
bonds (distance) P-C4' energy: -50.947
flat angles C4'-P-C4' energy: -49.736
flat angles P-C4'-P energy: -39.062
tors. eta vs tors. theta energy: -76.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -864.163846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.163846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.163846 (E_RNA)
where:
Base-Base interactions energy: -602.402
where: short stacking energy: -258.960
Base-Backbone interact. energy: -0.776
local terms energy: -260.985774
where:
bonds (distance) C4'-P energy: -48.179
bonds (distance) P-C4' energy: -48.249
flat angles C4'-P-C4' energy: -55.867
flat angles P-C4'-P energy: -39.014
tors. eta vs tors. theta energy: -69.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -824.252492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.252492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.252492 (E_RNA)
where:
Base-Base interactions energy: -572.920
where: short stacking energy: -245.685
Base-Backbone interact. energy: -2.813
local terms energy: -248.519924
where:
bonds (distance) C4'-P energy: -54.355
bonds (distance) P-C4' energy: -44.241
flat angles C4'-P-C4' energy: -51.148
flat angles P-C4'-P energy: -33.143
tors. eta vs tors. theta energy: -65.634
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: 1
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -801.208947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.208947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.208947 (E_RNA)
where:
Base-Base interactions energy: -547.565
where: short stacking energy: -236.210
Base-Backbone interact. energy: -1.603
local terms energy: -252.040980
where:
bonds (distance) C4'-P energy: -46.282
bonds (distance) P-C4' energy: -48.047
flat angles C4'-P-C4' energy: -54.583
flat angles P-C4'-P energy: -39.963
tors. eta vs tors. theta energy: -63.165
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: 5
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -788.606606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.606606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.606606 (E_RNA)
where:
Base-Base interactions energy: -534.357
where: short stacking energy: -225.551
Base-Backbone interact. energy: -1.349
local terms energy: -252.900491
where:
bonds (distance) C4'-P energy: -44.067
bonds (distance) P-C4' energy: -47.161
flat angles C4'-P-C4' energy: -56.350
flat angles P-C4'-P energy: -40.045
tors. eta vs tors. theta energy: -65.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -767.616008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.616008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.616008 (E_RNA)
where:
Base-Base interactions energy: -528.115
where: short stacking energy: -225.573
Base-Backbone interact. energy: 0.076
local terms energy: -239.577225
where:
bonds (distance) C4'-P energy: -42.827
bonds (distance) P-C4' energy: -54.192
flat angles C4'-P-C4' energy: -53.327
flat angles P-C4'-P energy: -28.626
tors. eta vs tors. theta energy: -60.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -693.464988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.464988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.464988 (E_RNA)
where:
Base-Base interactions energy: -463.443
where: short stacking energy: -190.538
Base-Backbone interact. energy: -1.361
local terms energy: -228.661267
where:
bonds (distance) C4'-P energy: -45.270
bonds (distance) P-C4' energy: -49.818
flat angles C4'-P-C4' energy: -52.148
flat angles P-C4'-P energy: -25.632
tors. eta vs tors. theta energy: -55.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -538.694409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.694409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.694409 (E_RNA)
where:
Base-Base interactions energy: -360.846
where: short stacking energy: -160.145
Base-Backbone interact. energy: -0.184
local terms energy: -177.664165
where:
bonds (distance) C4'-P energy: -33.152
bonds (distance) P-C4' energy: -43.687
flat angles C4'-P-C4' energy: -45.483
flat angles P-C4'-P energy: -22.704
tors. eta vs tors. theta energy: -32.638
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: 6
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -239.580682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.580682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.580682 (E_RNA)
where:
Base-Base interactions energy: -95.277
where: short stacking energy: -83.773
Base-Backbone interact. energy: -0.357
local terms energy: -143.947047
where:
bonds (distance) C4'-P energy: -38.602
bonds (distance) P-C4' energy: -39.732
flat angles C4'-P-C4' energy: -39.948
flat angles P-C4'-P energy: -28.176
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: 7
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -939.082095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.082095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.082095 (E_RNA)
where:
Base-Base interactions energy: -654.650
where: short stacking energy: -262.731
Base-Backbone interact. energy: -0.294
local terms energy: -284.137488
where:
bonds (distance) C4'-P energy: -53.953
bonds (distance) P-C4' energy: -55.500
flat angles C4'-P-C4' energy: -56.392
flat angles P-C4'-P energy: -42.076
tors. eta vs tors. theta energy: -76.216
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: 8
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -913.938672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.938672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.938672 (E_RNA)
where:
Base-Base interactions energy: -626.956
where: short stacking energy: -259.177
Base-Backbone interact. energy: -1.545
local terms energy: -285.438496
where:
bonds (distance) C4'-P energy: -55.002
bonds (distance) P-C4' energy: -55.134
flat angles C4'-P-C4' energy: -52.557
flat angles P-C4'-P energy: -43.318
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: 3, replica: 2
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -856.696617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.696617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.696617 (E_RNA)
where:
Base-Base interactions energy: -586.331
where: short stacking energy: -244.416
Base-Backbone interact. energy: 0.240
local terms energy: -270.604904
where:
bonds (distance) C4'-P energy: -49.910
bonds (distance) P-C4' energy: -51.862
flat angles C4'-P-C4' energy: -59.902
flat angles P-C4'-P energy: -37.909
tors. eta vs tors. theta energy: -71.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -813.667486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.667486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.667486 (E_RNA)
where:
Base-Base interactions energy: -564.222
where: short stacking energy: -247.140
Base-Backbone interact. energy: -1.222
local terms energy: -248.222692
where:
bonds (distance) C4'-P energy: -50.606
bonds (distance) P-C4' energy: -53.686
flat angles C4'-P-C4' energy: -48.852
flat angles P-C4'-P energy: -29.163
tors. eta vs tors. theta energy: -65.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -786.410051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.410051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.410051 (E_RNA)
where:
Base-Base interactions energy: -540.519
where: short stacking energy: -227.008
Base-Backbone interact. energy: 3.200
local terms energy: -249.091581
where:
bonds (distance) C4'-P energy: -43.059
bonds (distance) P-C4' energy: -51.497
flat angles C4'-P-C4' energy: -55.160
flat angles P-C4'-P energy: -41.961
tors. eta vs tors. theta energy: -57.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -740.260781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.260781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.260781 (E_RNA)
where:
Base-Base interactions energy: -518.591
where: short stacking energy: -222.686
Base-Backbone interact. energy: -0.566
local terms energy: -221.104146
where:
bonds (distance) C4'-P energy: -38.812
bonds (distance) P-C4' energy: -38.836
flat angles C4'-P-C4' energy: -52.514
flat angles P-C4'-P energy: -26.055
tors. eta vs tors. theta energy: -64.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -749.237421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.237421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.237421 (E_RNA)
where:
Base-Base interactions energy: -515.558
where: short stacking energy: -204.956
Base-Backbone interact. energy: -0.399
local terms energy: -233.280155
where:
bonds (distance) C4'-P energy: -44.877
bonds (distance) P-C4' energy: -47.707
flat angles C4'-P-C4' energy: -52.169
flat angles P-C4'-P energy: -28.689
tors. eta vs tors. theta energy: -59.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -702.147876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.147876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.147876 (E_RNA)
where:
Base-Base interactions energy: -477.604
where: short stacking energy: -191.177
Base-Backbone interact. energy: -1.083
local terms energy: -223.460711
where:
bonds (distance) C4'-P energy: -49.529
bonds (distance) P-C4' energy: -39.981
flat angles C4'-P-C4' energy: -54.421
flat angles P-C4'-P energy: -27.556
tors. eta vs tors. theta energy: -51.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -552.199108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.199108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.199108 (E_RNA)
where:
Base-Base interactions energy: -348.644
where: short stacking energy: -163.443
Base-Backbone interact. energy: -0.858
local terms energy: -202.697215
where:
bonds (distance) C4'-P energy: -42.131
bonds (distance) P-C4' energy: -32.134
flat angles C4'-P-C4' energy: -46.789
flat angles P-C4'-P energy: -40.492
tors. eta vs tors. theta energy: -41.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -234.224273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.224273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.224273 (E_RNA)
where:
Base-Base interactions energy: -88.003
where: short stacking energy: -69.784
Base-Backbone interact. energy: -1.686
local terms energy: -144.534585
where:
bonds (distance) C4'-P energy: -36.034
bonds (distance) P-C4' energy: -47.300
flat angles C4'-P-C4' energy: -43.576
flat angles P-C4'-P energy: -23.392
tors. eta vs tors. theta energy: 5.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -940.253694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.253694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.253694 (E_RNA)
where:
Base-Base interactions energy: -655.053
where: short stacking energy: -265.075
Base-Backbone interact. energy: -0.922
local terms energy: -284.278493
where:
bonds (distance) C4'-P energy: -54.005
bonds (distance) P-C4' energy: -54.024
flat angles C4'-P-C4' energy: -59.431
flat angles P-C4'-P energy: -46.174
tors. eta vs tors. theta energy: -70.645
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: 2, replica: 8
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -929.142527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.142527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.142527 (E_RNA)
where:
Base-Base interactions energy: -640.089
where: short stacking energy: -266.410
Base-Backbone interact. energy: 0.304
local terms energy: -289.357705
where:
bonds (distance) C4'-P energy: -52.400
bonds (distance) P-C4' energy: -51.216
flat angles C4'-P-C4' energy: -56.857
flat angles P-C4'-P energy: -43.487
tors. eta vs tors. theta energy: -85.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -880.752119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.752119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.752119 (E_RNA)
where:
Base-Base interactions energy: -593.344
where: short stacking energy: -276.742
Base-Backbone interact. energy: -0.652
local terms energy: -286.756779
where:
bonds (distance) C4'-P energy: -51.290
bonds (distance) P-C4' energy: -52.950
flat angles C4'-P-C4' energy: -61.915
flat angles P-C4'-P energy: -38.214
tors. eta vs tors. theta energy: -82.388
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: 2
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -826.565618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.565618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.565618 (E_RNA)
where:
Base-Base interactions energy: -573.024
where: short stacking energy: -241.824
Base-Backbone interact. energy: -0.989
local terms energy: -252.553449
where:
bonds (distance) C4'-P energy: -54.630
bonds (distance) P-C4' energy: -49.500
flat angles C4'-P-C4' energy: -54.709
flat angles P-C4'-P energy: -31.853
tors. eta vs tors. theta energy: -61.861
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: 3
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -804.174103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.174103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.174103 (E_RNA)
where:
Base-Base interactions energy: -560.771
where: short stacking energy: -239.691
Base-Backbone interact. energy: -0.621
local terms energy: -242.781782
where:
bonds (distance) C4'-P energy: -50.778
bonds (distance) P-C4' energy: -47.905
flat angles C4'-P-C4' energy: -50.526
flat angles P-C4'-P energy: -36.847
tors. eta vs tors. theta energy: -56.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -789.254067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.254067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.254067 (E_RNA)
where:
Base-Base interactions energy: -539.924
where: short stacking energy: -214.356
Base-Backbone interact. energy: -1.101
local terms energy: -248.229061
where:
bonds (distance) C4'-P energy: -56.224
bonds (distance) P-C4' energy: -41.785
flat angles C4'-P-C4' energy: -56.932
flat angles P-C4'-P energy: -38.503
tors. eta vs tors. theta energy: -54.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -719.375926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.375926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.375926 (E_RNA)
where:
Base-Base interactions energy: -491.069
where: short stacking energy: -200.596
Base-Backbone interact. energy: -0.944
local terms energy: -227.362864
where:
bonds (distance) C4'-P energy: -49.397
bonds (distance) P-C4' energy: -38.266
flat angles C4'-P-C4' energy: -51.464
flat angles P-C4'-P energy: -34.531
tors. eta vs tors. theta energy: -53.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -739.550546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.550546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.550546 (E_RNA)
where:
Base-Base interactions energy: -506.533
where: short stacking energy: -210.401
Base-Backbone interact. energy: 0.144
local terms energy: -233.161373
where:
bonds (distance) C4'-P energy: -42.448
bonds (distance) P-C4' energy: -50.681
flat angles C4'-P-C4' energy: -41.817
flat angles P-C4'-P energy: -34.773
tors. eta vs tors. theta energy: -63.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -530.758405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.758405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.758405 (E_RNA)
where:
Base-Base interactions energy: -338.022
where: short stacking energy: -135.630
Base-Backbone interact. energy: -1.735
local terms energy: -191.001970
where:
bonds (distance) C4'-P energy: -33.586
bonds (distance) P-C4' energy: -54.402
flat angles C4'-P-C4' energy: -47.391
flat angles P-C4'-P energy: -27.602
tors. eta vs tors. theta energy: -28.021
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: 6
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -232.551690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.551690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.551690 (E_RNA)
where:
Base-Base interactions energy: -110.779
where: short stacking energy: -72.722
Base-Backbone interact. energy: 0.884
local terms energy: -122.656312
where:
bonds (distance) C4'-P energy: -33.331
bonds (distance) P-C4' energy: -46.462
flat angles C4'-P-C4' energy: -38.589
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: 4.293
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: 7
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -939.264943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.264943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.264943 (E_RNA)
where:
Base-Base interactions energy: -659.783
where: short stacking energy: -260.424
Base-Backbone interact. energy: 0.282
local terms energy: -279.763721
where:
bonds (distance) C4'-P energy: -55.268
bonds (distance) P-C4' energy: -53.940
flat angles C4'-P-C4' energy: -63.038
flat angles P-C4'-P energy: -38.569
tors. eta vs tors. theta energy: -68.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -945.843491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.843491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.843491 (E_RNA)
where:
Base-Base interactions energy: -648.023
where: short stacking energy: -281.757
Base-Backbone interact. energy: 0.334
local terms energy: -298.154422
where:
bonds (distance) C4'-P energy: -53.927
bonds (distance) P-C4' energy: -52.219
flat angles C4'-P-C4' energy: -59.799
flat angles P-C4'-P energy: -45.030
tors. eta vs tors. theta energy: -87.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -848.004522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.004522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.004522 (E_RNA)
where:
Base-Base interactions energy: -579.715
where: short stacking energy: -269.519
Base-Backbone interact. energy: -0.939
local terms energy: -267.351053
where:
bonds (distance) C4'-P energy: -47.017
bonds (distance) P-C4' energy: -48.957
flat angles C4'-P-C4' energy: -57.791
flat angles P-C4'-P energy: -37.550
tors. eta vs tors. theta energy: -76.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -847.901086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.901086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.901086 (E_RNA)
where:
Base-Base interactions energy: -583.151
where: short stacking energy: -252.393
Base-Backbone interact. energy: -0.515
local terms energy: -264.235747
where:
bonds (distance) C4'-P energy: -48.754
bonds (distance) P-C4' energy: -44.188
flat angles C4'-P-C4' energy: -58.219
flat angles P-C4'-P energy: -37.063
tors. eta vs tors. theta energy: -76.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -756.348690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.348690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.348690 (E_RNA)
where:
Base-Base interactions energy: -530.663
where: short stacking energy: -211.631
Base-Backbone interact. energy: 0.461
local terms energy: -226.146714
where:
bonds (distance) C4'-P energy: -43.576
bonds (distance) P-C4' energy: -52.153
flat angles C4'-P-C4' energy: -46.543
flat angles P-C4'-P energy: -32.113
tors. eta vs tors. theta energy: -51.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -783.982249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.982249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.982249 (E_RNA)
where:
Base-Base interactions energy: -519.598
where: short stacking energy: -214.230
Base-Backbone interact. energy: -0.952
local terms energy: -263.432080
where:
bonds (distance) C4'-P energy: -49.317
bonds (distance) P-C4' energy: -52.122
flat angles C4'-P-C4' energy: -54.662
flat angles P-C4'-P energy: -42.033
tors. eta vs tors. theta energy: -65.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -706.743393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.743393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.743393 (E_RNA)
where:
Base-Base interactions energy: -506.171
where: short stacking energy: -200.916
Base-Backbone interact. energy: 0.109
local terms energy: -200.681383
where:
bonds (distance) C4'-P energy: -24.739
bonds (distance) P-C4' energy: -47.154
flat angles C4'-P-C4' energy: -49.115
flat angles P-C4'-P energy: -34.891
tors. eta vs tors. theta energy: -44.783
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: 115
Temperature: 1.250000
Total energy: -741.224863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.224863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.224863 (E_RNA)
where:
Base-Base interactions energy: -526.915
where: short stacking energy: -222.778
Base-Backbone interact. energy: 1.540
local terms energy: -215.849935
where:
bonds (distance) C4'-P energy: -31.571
bonds (distance) P-C4' energy: -43.861
flat angles C4'-P-C4' energy: -46.142
flat angles P-C4'-P energy: -30.943
tors. eta vs tors. theta energy: -63.332
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: 9, replica: 9
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -523.214385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.214385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.214385 (E_RNA)
where:
Base-Base interactions energy: -344.871
where: short stacking energy: -150.139
Base-Backbone interact. energy: 3.063
local terms energy: -181.406501
where:
bonds (distance) C4'-P energy: -38.837
bonds (distance) P-C4' energy: -41.250
flat angles C4'-P-C4' energy: -43.186
flat angles P-C4'-P energy: -32.161
tors. eta vs tors. theta energy: -25.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -234.682532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.682532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.682532 (E_RNA)
where:
Base-Base interactions energy: -82.871
where: short stacking energy: -64.390
Base-Backbone interact. energy: -1.870
local terms energy: -149.942165
where:
bonds (distance) C4'-P energy: -51.762
bonds (distance) P-C4' energy: -46.731
flat angles C4'-P-C4' energy: -26.354
flat angles P-C4'-P energy: -28.324
tors. eta vs tors. theta energy: 3.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -962.307459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.307459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.307459 (E_RNA)
where:
Base-Base interactions energy: -669.299
where: short stacking energy: -286.770
Base-Backbone interact. energy: -1.128
local terms energy: -291.880047
where:
bonds (distance) C4'-P energy: -51.386
bonds (distance) P-C4' energy: -49.793
flat angles C4'-P-C4' energy: -60.754
flat angles P-C4'-P energy: -42.708
tors. eta vs tors. theta energy: -87.239
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: 7
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -923.199071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.199071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.199071 (E_RNA)
where:
Base-Base interactions energy: -647.331
where: short stacking energy: -260.111
Base-Backbone interact. energy: -1.451
local terms energy: -274.417409
where:
bonds (distance) C4'-P energy: -56.187
bonds (distance) P-C4' energy: -49.871
flat angles C4'-P-C4' energy: -58.450
flat angles P-C4'-P energy: -42.394
tors. eta vs tors. theta energy: -67.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -853.895441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.895441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.895441 (E_RNA)
where:
Base-Base interactions energy: -584.194
where: short stacking energy: -241.788
Base-Backbone interact. energy: -0.520
local terms energy: -269.181629
where:
bonds (distance) C4'-P energy: -54.111
bonds (distance) P-C4' energy: -50.449
flat angles C4'-P-C4' energy: -57.297
flat angles P-C4'-P energy: -33.382
tors. eta vs tors. theta energy: -73.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -810.220636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.220636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.220636 (E_RNA)
where:
Base-Base interactions energy: -552.294
where: short stacking energy: -243.099
Base-Backbone interact. energy: -1.660
local terms energy: -256.266080
where:
bonds (distance) C4'-P energy: -44.621
bonds (distance) P-C4' energy: -53.284
flat angles C4'-P-C4' energy: -53.379
flat angles P-C4'-P energy: -42.578
tors. eta vs tors. theta energy: -62.404
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: 5
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -781.158165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.158165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.158165 (E_RNA)
where:
Base-Base interactions energy: -532.090
where: short stacking energy: -220.904
Base-Backbone interact. energy: -0.356
local terms energy: -248.712781
where:
bonds (distance) C4'-P energy: -40.924
bonds (distance) P-C4' energy: -47.181
flat angles C4'-P-C4' energy: -52.937
flat angles P-C4'-P energy: -43.537
tors. eta vs tors. theta energy: -64.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -740.165165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.165165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.165165 (E_RNA)
where:
Base-Base interactions energy: -526.827
where: short stacking energy: -217.611
Base-Backbone interact. energy: 0.087
local terms energy: -213.425673
where:
bonds (distance) C4'-P energy: -39.751
bonds (distance) P-C4' energy: -41.016
flat angles C4'-P-C4' energy: -45.067
flat angles P-C4'-P energy: -29.585
tors. eta vs tors. theta energy: -58.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -765.867866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.867866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.867866 (E_RNA)
where:
Base-Base interactions energy: -548.021
where: short stacking energy: -228.795
Base-Backbone interact. energy: 0.290
local terms energy: -218.137282
where:
bonds (distance) C4'-P energy: -42.163
bonds (distance) P-C4' energy: -34.954
flat angles C4'-P-C4' energy: -46.359
flat angles P-C4'-P energy: -31.945
tors. eta vs tors. theta energy: -62.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -681.686627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.686627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.686627 (E_RNA)
where:
Base-Base interactions energy: -463.951
where: short stacking energy: -174.283
Base-Backbone interact. energy: -0.638
local terms energy: -217.097204
where:
bonds (distance) C4'-P energy: -51.271
bonds (distance) P-C4' energy: -47.806
flat angles C4'-P-C4' energy: -45.426
flat angles P-C4'-P energy: -31.905
tors. eta vs tors. theta energy: -40.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -528.954833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.954833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.954833 (E_RNA)
where:
Base-Base interactions energy: -332.795
where: short stacking energy: -143.118
Base-Backbone interact. energy: -3.286
local terms energy: -192.873059
where:
bonds (distance) C4'-P energy: -49.951
bonds (distance) P-C4' energy: -49.325
flat angles C4'-P-C4' energy: -40.009
flat angles P-C4'-P energy: -24.158
tors. eta vs tors. theta energy: -29.430
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: 6
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -229.065237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.065237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.065237 (E_RNA)
where:
Base-Base interactions energy: -71.391
where: short stacking energy: -62.796
Base-Backbone interact. energy: -0.833
local terms energy: -156.840927
where:
bonds (distance) C4'-P energy: -50.496
bonds (distance) P-C4' energy: -41.859
flat angles C4'-P-C4' energy: -42.787
flat angles P-C4'-P energy: -30.989
tors. eta vs tors. theta energy: 9.290
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: 8
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -960.469216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.469216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.469216 (E_RNA)
where:
Base-Base interactions energy: -660.842
where: short stacking energy: -274.522
Base-Backbone interact. energy: -0.308
local terms energy: -299.319294
where:
bonds (distance) C4'-P energy: -53.340
bonds (distance) P-C4' energy: -53.162
flat angles C4'-P-C4' energy: -64.188
flat angles P-C4'-P energy: -46.168
tors. eta vs tors. theta energy: -82.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -903.813728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.813728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.813728 (E_RNA)
where:
Base-Base interactions energy: -625.416
where: short stacking energy: -246.768
Base-Backbone interact. energy: -1.309
local terms energy: -277.089257
where:
bonds (distance) C4'-P energy: -53.403
bonds (distance) P-C4' energy: -54.594
flat angles C4'-P-C4' energy: -57.422
flat angles P-C4'-P energy: -44.555
tors. eta vs tors. theta energy: -67.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -868.094374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.094374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.094374 (E_RNA)
where:
Base-Base interactions energy: -597.053
where: short stacking energy: -246.319
Base-Backbone interact. energy: -0.208
local terms energy: -270.833363
where:
bonds (distance) C4'-P energy: -49.046
bonds (distance) P-C4' energy: -57.099
flat angles C4'-P-C4' energy: -58.038
flat angles P-C4'-P energy: -33.849
tors. eta vs tors. theta energy: -72.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -798.258752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.258752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.258752 (E_RNA)
where:
Base-Base interactions energy: -543.105
where: short stacking energy: -230.851
Base-Backbone interact. energy: -0.534
local terms energy: -254.619026
where:
bonds (distance) C4'-P energy: -49.979
bonds (distance) P-C4' energy: -48.893
flat angles C4'-P-C4' energy: -58.335
flat angles P-C4'-P energy: -35.001
tors. eta vs tors. theta energy: -62.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -812.311379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.311379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.311379 (E_RNA)
where:
Base-Base interactions energy: -559.156
where: short stacking energy: -244.616
Base-Backbone interact. energy: 1.253
local terms energy: -254.408861
where:
bonds (distance) C4'-P energy: -45.413
bonds (distance) P-C4' energy: -58.937
flat angles C4'-P-C4' energy: -45.754
flat angles P-C4'-P energy: -34.569
tors. eta vs tors. theta energy: -69.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -772.662991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.662991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.662991 (E_RNA)
where:
Base-Base interactions energy: -517.636
where: short stacking energy: -238.642
Base-Backbone interact. energy: -1.491
local terms energy: -253.536176
where:
bonds (distance) C4'-P energy: -52.632
bonds (distance) P-C4' energy: -42.534
flat angles C4'-P-C4' energy: -59.392
flat angles P-C4'-P energy: -34.619
tors. eta vs tors. theta energy: -64.358
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: 3
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -741.873506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.873506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.873506 (E_RNA)
where:
Base-Base interactions energy: -529.676
where: short stacking energy: -221.481
Base-Backbone interact. energy: -1.610
local terms energy: -210.586825
where:
bonds (distance) C4'-P energy: -32.918
bonds (distance) P-C4' energy: -47.670
flat angles C4'-P-C4' energy: -52.060
flat angles P-C4'-P energy: -20.778
tors. eta vs tors. theta energy: -57.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -648.965872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.965872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.965872 (E_RNA)
where:
Base-Base interactions energy: -436.862
where: short stacking energy: -190.832
Base-Backbone interact. energy: 1.342
local terms energy: -213.445243
where:
bonds (distance) C4'-P energy: -48.432
bonds (distance) P-C4' energy: -43.378
flat angles C4'-P-C4' energy: -51.148
flat angles P-C4'-P energy: -25.541
tors. eta vs tors. theta energy: -44.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -518.805084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.805084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.805084 (E_RNA)
where:
Base-Base interactions energy: -338.301
where: short stacking energy: -137.043
Base-Backbone interact. energy: -1.865
local terms energy: -178.639129
where:
bonds (distance) C4'-P energy: -32.939
bonds (distance) P-C4' energy: -50.629
flat angles C4'-P-C4' energy: -40.834
flat angles P-C4'-P energy: -30.069
tors. eta vs tors. theta energy: -24.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -219.404449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.404449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.404449 (E_RNA)
where:
Base-Base interactions energy: -80.177
where: short stacking energy: -72.744
Base-Backbone interact. energy: -0.826
local terms energy: -138.401846
where:
bonds (distance) C4'-P energy: -41.587
bonds (distance) P-C4' energy: -40.842
flat angles C4'-P-C4' energy: -50.110
flat angles P-C4'-P energy: -17.697
tors. eta vs tors. theta energy: 11.835
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: 8
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -940.460128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.460128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.460128 (E_RNA)
where:
Base-Base interactions energy: -658.539
where: short stacking energy: -284.340
Base-Backbone interact. energy: -0.587
local terms energy: -281.333935
where:
bonds (distance) C4'-P energy: -55.732
bonds (distance) P-C4' energy: -57.105
flat angles C4'-P-C4' energy: -51.366
flat angles P-C4'-P energy: -40.781
tors. eta vs tors. theta energy: -76.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -882.854571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.854571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.854571 (E_RNA)
where:
Base-Base interactions energy: -631.628
where: short stacking energy: -250.310
Base-Backbone interact. energy: -0.546
local terms energy: -250.681445
where:
bonds (distance) C4'-P energy: -51.397
bonds (distance) P-C4' energy: -45.757
flat angles C4'-P-C4' energy: -46.497
flat angles P-C4'-P energy: -39.943
tors. eta vs tors. theta energy: -67.087
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: 3, replica: 2
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -869.605713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.605713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.605713 (E_RNA)
where:
Base-Base interactions energy: -581.846
where: short stacking energy: -257.499
Base-Backbone interact. energy: -1.399
local terms energy: -286.361364
where:
bonds (distance) C4'-P energy: -55.311
bonds (distance) P-C4' energy: -52.703
flat angles C4'-P-C4' energy: -59.078
flat angles P-C4'-P energy: -38.575
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: 4, replica: 1
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -828.655149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.655149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.655149 (E_RNA)
where:
Base-Base interactions energy: -591.471
where: short stacking energy: -256.439
Base-Backbone interact. energy: -1.024
local terms energy: -236.160101
where:
bonds (distance) C4'-P energy: -40.181
bonds (distance) P-C4' energy: -41.568
flat angles C4'-P-C4' energy: -46.600
flat angles P-C4'-P energy: -36.770
tors. eta vs tors. theta energy: -71.042
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: 10
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -770.570224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.570224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.570224 (E_RNA)
where:
Base-Base interactions energy: -522.642
where: short stacking energy: -228.359
Base-Backbone interact. energy: 0.024
local terms energy: -247.952895
where:
bonds (distance) C4'-P energy: -48.885
bonds (distance) P-C4' energy: -49.524
flat angles C4'-P-C4' energy: -45.240
flat angles P-C4'-P energy: -40.934
tors. eta vs tors. theta energy: -63.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -787.522141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.522141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.522141 (E_RNA)
where:
Base-Base interactions energy: -524.884
where: short stacking energy: -226.129
Base-Backbone interact. energy: 1.394
local terms energy: -264.032631
where:
bonds (distance) C4'-P energy: -49.360
bonds (distance) P-C4' energy: -44.296
flat angles C4'-P-C4' energy: -62.047
flat angles P-C4'-P energy: -43.974
tors. eta vs tors. theta energy: -64.356
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: 3
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -755.573946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.573946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.573946 (E_RNA)
where:
Base-Base interactions energy: -542.356
where: short stacking energy: -232.393
Base-Backbone interact. energy: -1.269
local terms energy: -211.948995
where:
bonds (distance) C4'-P energy: -36.743
bonds (distance) P-C4' energy: -43.076
flat angles C4'-P-C4' energy: -45.446
flat angles P-C4'-P energy: -25.493
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: 8, replica: 4
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -693.472198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.472198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.472198 (E_RNA)
where:
Base-Base interactions energy: -456.063
where: short stacking energy: -191.382
Base-Backbone interact. energy: -0.740
local terms energy: -236.669607
where:
bonds (distance) C4'-P energy: -45.802
bonds (distance) P-C4' energy: -56.547
flat angles C4'-P-C4' energy: -44.004
flat angles P-C4'-P energy: -35.855
tors. eta vs tors. theta energy: -54.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -524.201371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.201371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.201371 (E_RNA)
where:
Base-Base interactions energy: -336.399
where: short stacking energy: -157.684
Base-Backbone interact. energy: -1.026
local terms energy: -186.775780
where:
bonds (distance) C4'-P energy: -28.161
bonds (distance) P-C4' energy: -46.481
flat angles C4'-P-C4' energy: -49.315
flat angles P-C4'-P energy: -21.724
tors. eta vs tors. theta energy: -41.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -220.079290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.079290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.079290 (E_RNA)
where:
Base-Base interactions energy: -75.307
where: short stacking energy: -57.602
Base-Backbone interact. energy: -1.295
local terms energy: -143.477271
where:
bonds (distance) C4'-P energy: -39.888
bonds (distance) P-C4' energy: -53.526
flat angles C4'-P-C4' energy: -40.406
flat angles P-C4'-P energy: -16.098
tors. eta vs tors. theta energy: 6.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -947.866945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.866945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.866945 (E_RNA)
where:
Base-Base interactions energy: -657.057
where: short stacking energy: -267.686
Base-Backbone interact. energy: -0.881
local terms energy: -289.928697
where:
bonds (distance) C4'-P energy: -53.801
bonds (distance) P-C4' energy: -49.099
flat angles C4'-P-C4' energy: -60.366
flat angles P-C4'-P energy: -41.778
tors. eta vs tors. theta energy: -84.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -881.439135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.439135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.439135 (E_RNA)
where:
Base-Base interactions energy: -599.214
where: short stacking energy: -261.331
Base-Backbone interact. energy: -0.893
local terms energy: -281.331573
where:
bonds (distance) C4'-P energy: -55.108
bonds (distance) P-C4' energy: -50.474
flat angles C4'-P-C4' energy: -61.012
flat angles P-C4'-P energy: -41.366
tors. eta vs tors. theta energy: -73.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -853.562577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.562577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.562577 (E_RNA)
where:
Base-Base interactions energy: -599.375
where: short stacking energy: -243.163
Base-Backbone interact. energy: -0.715
local terms energy: -253.472192
where:
bonds (distance) C4'-P energy: -46.362
bonds (distance) P-C4' energy: -54.345
flat angles C4'-P-C4' energy: -58.536
flat angles P-C4'-P energy: -34.446
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: 4, replica: 1
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -815.558311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.558311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.558311 (E_RNA)
where:
Base-Base interactions energy: -565.552
where: short stacking energy: -247.284
Base-Backbone interact. energy: -1.136
local terms energy: -248.870313
where:
bonds (distance) C4'-P energy: -45.910
bonds (distance) P-C4' energy: -44.979
flat angles C4'-P-C4' energy: -57.738
flat angles P-C4'-P energy: -33.569
tors. eta vs tors. theta energy: -66.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -835.513912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.513912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.513912 (E_RNA)
where:
Base-Base interactions energy: -570.578
where: short stacking energy: -250.548
Base-Backbone interact. energy: -0.393
local terms energy: -264.542421
where:
bonds (distance) C4'-P energy: -53.286
bonds (distance) P-C4' energy: -52.339
flat angles C4'-P-C4' energy: -57.994
flat angles P-C4'-P energy: -34.955
tors. eta vs tors. theta energy: -65.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -773.996763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.996763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.996763 (E_RNA)
where:
Base-Base interactions energy: -533.043
where: short stacking energy: -238.390
Base-Backbone interact. energy: -0.382
local terms energy: -240.571970
where:
bonds (distance) C4'-P energy: -40.128
bonds (distance) P-C4' energy: -50.304
flat angles C4'-P-C4' energy: -50.694
flat angles P-C4'-P energy: -34.483
tors. eta vs tors. theta energy: -64.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -747.282258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.282258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.282258 (E_RNA)
where:
Base-Base interactions energy: -502.790
where: short stacking energy: -207.129
Base-Backbone interact. energy: 1.026
local terms energy: -245.518623
where:
bonds (distance) C4'-P energy: -48.418
bonds (distance) P-C4' energy: -54.745
flat angles C4'-P-C4' energy: -47.979
flat angles P-C4'-P energy: -33.783
tors. eta vs tors. theta energy: -60.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -685.578028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.578028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.578028 (E_RNA)
where:
Base-Base interactions energy: -468.989
where: short stacking energy: -190.597
Base-Backbone interact. energy: -0.631
local terms energy: -215.957741
where:
bonds (distance) C4'-P energy: -36.804
bonds (distance) P-C4' energy: -51.577
flat angles C4'-P-C4' energy: -53.788
flat angles P-C4'-P energy: -30.323
tors. eta vs tors. theta energy: -43.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -525.702992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.702992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.702992 (E_RNA)
where:
Base-Base interactions energy: -334.661
where: short stacking energy: -147.699
Base-Backbone interact. energy: -0.500
local terms energy: -190.542011
where:
bonds (distance) C4'-P energy: -35.153
bonds (distance) P-C4' energy: -41.629
flat angles C4'-P-C4' energy: -33.460
flat angles P-C4'-P energy: -39.875
tors. eta vs tors. theta energy: -40.425
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: 6
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -232.340038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.340038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.340038 (E_RNA)
where:
Base-Base interactions energy: -89.803
where: short stacking energy: -62.160
Base-Backbone interact. energy: -1.440
local terms energy: -141.097268
where:
bonds (distance) C4'-P energy: -41.113
bonds (distance) P-C4' energy: -52.759
flat angles C4'-P-C4' energy: -34.434
flat angles P-C4'-P energy: -18.985
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: 1, replica: 8
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -960.781745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.781745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.781745 (E_RNA)
where:
Base-Base interactions energy: -669.693
where: short stacking energy: -286.921
Base-Backbone interact. energy: -0.293
local terms energy: -290.795701
where:
bonds (distance) C4'-P energy: -53.883
bonds (distance) P-C4' energy: -47.771
flat angles C4'-P-C4' energy: -55.920
flat angles P-C4'-P energy: -43.910
tors. eta vs tors. theta energy: -89.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -887.192626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.192626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.192626 (E_RNA)
where:
Base-Base interactions energy: -616.062
where: short stacking energy: -273.541
Base-Backbone interact. energy: -0.501
local terms energy: -270.629095
where:
bonds (distance) C4'-P energy: -48.650
bonds (distance) P-C4' energy: -53.983
flat angles C4'-P-C4' energy: -63.733
flat angles P-C4'-P energy: -32.539
tors. eta vs tors. theta energy: -71.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -854.558417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.558417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.558417 (E_RNA)
where:
Base-Base interactions energy: -602.076
where: short stacking energy: -246.703
Base-Backbone interact. energy: -1.205
local terms energy: -251.277522
where:
bonds (distance) C4'-P energy: -48.341
bonds (distance) P-C4' energy: -54.396
flat angles C4'-P-C4' energy: -50.628
flat angles P-C4'-P energy: -38.334
tors. eta vs tors. theta energy: -59.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -820.633413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.633413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.633413 (E_RNA)
where:
Base-Base interactions energy: -552.078
where: short stacking energy: -249.851
Base-Backbone interact. energy: -0.325
local terms energy: -268.230585
where:
bonds (distance) C4'-P energy: -53.100
bonds (distance) P-C4' energy: -43.391
flat angles C4'-P-C4' energy: -51.165
flat angles P-C4'-P energy: -46.520
tors. eta vs tors. theta energy: -74.054
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: 10
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -816.372969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.372969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.372969 (E_RNA)
where:
Base-Base interactions energy: -556.378
where: short stacking energy: -253.661
Base-Backbone interact. energy: 1.249
local terms energy: -261.244870
where:
bonds (distance) C4'-P energy: -44.128
bonds (distance) P-C4' energy: -51.055
flat angles C4'-P-C4' energy: -56.082
flat angles P-C4'-P energy: -38.093
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: 5
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -771.389541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.389541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.389541 (E_RNA)
where:
Base-Base interactions energy: -530.714
where: short stacking energy: -233.080
Base-Backbone interact. energy: -0.497
local terms energy: -240.178596
where:
bonds (distance) C4'-P energy: -49.066
bonds (distance) P-C4' energy: -40.263
flat angles C4'-P-C4' energy: -53.441
flat angles P-C4'-P energy: -38.755
tors. eta vs tors. theta energy: -58.654
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: 3
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -742.444322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.444322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.444322 (E_RNA)
where:
Base-Base interactions energy: -507.709
where: short stacking energy: -211.861
Base-Backbone interact. energy: 0.638
local terms energy: -235.373846
where:
bonds (distance) C4'-P energy: -41.970
bonds (distance) P-C4' energy: -52.470
flat angles C4'-P-C4' energy: -52.819
flat angles P-C4'-P energy: -36.705
tors. eta vs tors. theta energy: -51.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -676.079053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.079053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.079053 (E_RNA)
where:
Base-Base interactions energy: -474.309
where: short stacking energy: -185.949
Base-Backbone interact. energy: 0.039
local terms energy: -201.809122
where:
bonds (distance) C4'-P energy: -46.981
bonds (distance) P-C4' energy: -44.336
flat angles C4'-P-C4' energy: -50.102
flat angles P-C4'-P energy: -24.794
tors. eta vs tors. theta energy: -35.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -541.395118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.395118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.395118 (E_RNA)
where:
Base-Base interactions energy: -337.275
where: short stacking energy: -160.308
Base-Backbone interact. energy: -0.863
local terms energy: -203.257399
where:
bonds (distance) C4'-P energy: -47.529
bonds (distance) P-C4' energy: -40.523
flat angles C4'-P-C4' energy: -44.620
flat angles P-C4'-P energy: -30.389
tors. eta vs tors. theta energy: -40.197
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: 6
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -263.839991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.839991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.839991 (E_RNA)
where:
Base-Base interactions energy: -139.902
where: short stacking energy: -80.138
Base-Backbone interact. energy: 2.090
local terms energy: -126.028034
where:
bonds (distance) C4'-P energy: -28.260
bonds (distance) P-C4' energy: -40.153
flat angles C4'-P-C4' energy: -37.324
flat angles P-C4'-P energy: -16.126
tors. eta vs tors. theta energy: -4.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -954.583967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.583967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.583967 (E_RNA)
where:
Base-Base interactions energy: -667.328
where: short stacking energy: -281.416
Base-Backbone interact. energy: -0.744
local terms energy: -286.512355
where:
bonds (distance) C4'-P energy: -47.497
bonds (distance) P-C4' energy: -56.780
flat angles C4'-P-C4' energy: -57.850
flat angles P-C4'-P energy: -43.972
tors. eta vs tors. theta energy: -80.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -884.363796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.363796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.363796 (E_RNA)
where:
Base-Base interactions energy: -616.084
where: short stacking energy: -255.850
Base-Backbone interact. energy: -1.036
local terms energy: -267.243949
where:
bonds (distance) C4'-P energy: -51.401
bonds (distance) P-C4' energy: -51.871
flat angles C4'-P-C4' energy: -55.888
flat angles P-C4'-P energy: -35.423
tors. eta vs tors. theta energy: -72.662
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: 7
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -849.392596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.392596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.392596 (E_RNA)
where:
Base-Base interactions energy: -605.765
where: short stacking energy: -256.048
Base-Backbone interact. energy: 0.833
local terms energy: -244.460389
where:
bonds (distance) C4'-P energy: -48.248
bonds (distance) P-C4' energy: -50.891
flat angles C4'-P-C4' energy: -44.687
flat angles P-C4'-P energy: -36.153
tors. eta vs tors. theta energy: -64.482
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: 10
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -840.576188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.576188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.576188 (E_RNA)
where:
Base-Base interactions energy: -565.861
where: short stacking energy: -248.849
Base-Backbone interact. energy: -0.602
local terms energy: -274.112849
where:
bonds (distance) C4'-P energy: -54.375
bonds (distance) P-C4' energy: -46.570
flat angles C4'-P-C4' energy: -60.701
flat angles P-C4'-P energy: -34.414
tors. eta vs tors. theta energy: -78.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -819.875131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.875131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.875131 (E_RNA)
where:
Base-Base interactions energy: -552.376
where: short stacking energy: -243.613
Base-Backbone interact. energy: -0.004
local terms energy: -267.495173
where:
bonds (distance) C4'-P energy: -43.198
bonds (distance) P-C4' energy: -56.516
flat angles C4'-P-C4' energy: -49.740
flat angles P-C4'-P energy: -40.842
tors. eta vs tors. theta energy: -77.199
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: 5
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -810.238528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.238528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.238528 (E_RNA)
where:
Base-Base interactions energy: -549.971
where: short stacking energy: -226.019
Base-Backbone interact. energy: -0.976
local terms energy: -259.291100
where:
bonds (distance) C4'-P energy: -50.335
bonds (distance) P-C4' energy: -52.586
flat angles C4'-P-C4' energy: -57.760
flat angles P-C4'-P energy: -34.615
tors. eta vs tors. theta energy: -63.995
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: 3
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -709.766559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.766559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.766559 (E_RNA)
where:
Base-Base interactions energy: -495.157
where: short stacking energy: -192.505
Base-Backbone interact. energy: -1.598
local terms energy: -213.011256
where:
bonds (distance) C4'-P energy: -47.700
bonds (distance) P-C4' energy: -39.019
flat angles C4'-P-C4' energy: -43.359
flat angles P-C4'-P energy: -26.842
tors. eta vs tors. theta energy: -56.092
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: 4
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -715.739389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.739389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.739389 (E_RNA)
where:
Base-Base interactions energy: -488.393
where: short stacking energy: -197.802
Base-Backbone interact. energy: 0.394
local terms energy: -227.740453
where:
bonds (distance) C4'-P energy: -42.087
bonds (distance) P-C4' energy: -40.445
flat angles C4'-P-C4' energy: -57.159
flat angles P-C4'-P energy: -26.313
tors. eta vs tors. theta energy: -61.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -520.387544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.387544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.387544 (E_RNA)
where:
Base-Base interactions energy: -322.670
where: short stacking energy: -146.230
Base-Backbone interact. energy: 2.241
local terms energy: -199.959018
where:
bonds (distance) C4'-P energy: -45.220
bonds (distance) P-C4' energy: -41.126
flat angles C4'-P-C4' energy: -47.100
flat angles P-C4'-P energy: -34.116
tors. eta vs tors. theta energy: -32.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -213.586306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.586306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.586306 (E_RNA)
where:
Base-Base interactions energy: -78.440
where: short stacking energy: -62.017
Base-Backbone interact. energy: 3.808
local terms energy: -138.954108
where:
bonds (distance) C4'-P energy: -44.668
bonds (distance) P-C4' energy: -32.934
flat angles C4'-P-C4' energy: -32.377
flat angles P-C4'-P energy: -32.091
tors. eta vs tors. theta energy: 3.116
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: 1, replica: 8
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -950.418435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.418435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.418435 (E_RNA)
where:
Base-Base interactions energy: -657.237
where: short stacking energy: -280.511
Base-Backbone interact. energy: -0.938
local terms energy: -292.244142
where:
bonds (distance) C4'-P energy: -46.788
bonds (distance) P-C4' energy: -52.195
flat angles C4'-P-C4' energy: -67.507
flat angles P-C4'-P energy: -41.883
tors. eta vs tors. theta energy: -83.872
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: 2
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -867.098538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.098538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.098538 (E_RNA)
where:
Base-Base interactions energy: -594.251
where: short stacking energy: -256.371
Base-Backbone interact. energy: -0.925
local terms energy: -271.923304
where:
bonds (distance) C4'-P energy: -51.103
bonds (distance) P-C4' energy: -55.778
flat angles C4'-P-C4' energy: -57.325
flat angles P-C4'-P energy: -41.623
tors. eta vs tors. theta energy: -66.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -860.060587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.060587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.060587 (E_RNA)
where:
Base-Base interactions energy: -610.209
where: short stacking energy: -251.710
Base-Backbone interact. energy: -1.647
local terms energy: -248.204835
where:
bonds (distance) C4'-P energy: -42.590
bonds (distance) P-C4' energy: -49.496
flat angles C4'-P-C4' energy: -59.242
flat angles P-C4'-P energy: -35.110
tors. eta vs tors. theta energy: -61.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -831.279186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.279186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.279186 (E_RNA)
where:
Base-Base interactions energy: -580.293
where: short stacking energy: -248.808
Base-Backbone interact. energy: -0.563
local terms energy: -250.423541
where:
bonds (distance) C4'-P energy: -36.819
bonds (distance) P-C4' energy: -49.083
flat angles C4'-P-C4' energy: -56.568
flat angles P-C4'-P energy: -31.717
tors. eta vs tors. theta energy: -76.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -802.212026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.212026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.212026 (E_RNA)
where:
Base-Base interactions energy: -549.957
where: short stacking energy: -227.265
Base-Backbone interact. energy: -1.239
local terms energy: -251.015745
where:
bonds (distance) C4'-P energy: -42.177
bonds (distance) P-C4' energy: -44.149
flat angles C4'-P-C4' energy: -62.370
flat angles P-C4'-P energy: -43.147
tors. eta vs tors. theta energy: -59.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -809.121167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.121167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.121167 (E_RNA)
where:
Base-Base interactions energy: -557.734
where: short stacking energy: -246.265
Base-Backbone interact. energy: -0.310
local terms energy: -251.076975
where:
bonds (distance) C4'-P energy: -43.798
bonds (distance) P-C4' energy: -47.743
flat angles C4'-P-C4' energy: -52.361
flat angles P-C4'-P energy: -34.754
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: 7, replica: 4
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -751.805276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.805276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.805276 (E_RNA)
where:
Base-Base interactions energy: -516.888
where: short stacking energy: -209.877
Base-Backbone interact. energy: -0.860
local terms energy: -234.057665
where:
bonds (distance) C4'-P energy: -39.301
bonds (distance) P-C4' energy: -51.591
flat angles C4'-P-C4' energy: -56.871
flat angles P-C4'-P energy: -21.622
tors. eta vs tors. theta energy: -64.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -687.485404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.485404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.485404 (E_RNA)
where:
Base-Base interactions energy: -481.736
where: short stacking energy: -197.517
Base-Backbone interact. energy: 1.691
local terms energy: -207.439672
where:
bonds (distance) C4'-P energy: -47.892
bonds (distance) P-C4' energy: -40.277
flat angles C4'-P-C4' energy: -49.416
flat angles P-C4'-P energy: -22.606
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: 9, replica: 9
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -563.504123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.504123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.504123 (E_RNA)
where:
Base-Base interactions energy: -361.439
where: short stacking energy: -164.997
Base-Backbone interact. energy: -0.908
local terms energy: -201.156807
where:
bonds (distance) C4'-P energy: -43.815
bonds (distance) P-C4' energy: -41.958
flat angles C4'-P-C4' energy: -55.777
flat angles P-C4'-P energy: -32.237
tors. eta vs tors. theta energy: -27.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -233.516217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.516217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.516217 (E_RNA)
where:
Base-Base interactions energy: -86.931
where: short stacking energy: -69.935
Base-Backbone interact. energy: -1.501
local terms energy: -145.083702
where:
bonds (distance) C4'-P energy: -52.645
bonds (distance) P-C4' energy: -37.027
flat angles C4'-P-C4' energy: -41.634
flat angles P-C4'-P energy: -20.441
tors. eta vs tors. theta energy: 6.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -957.092858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.092858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.092858 (E_RNA)
where:
Base-Base interactions energy: -667.913
where: short stacking energy: -271.677
Base-Backbone interact. energy: 1.260
local terms energy: -290.439807
where:
bonds (distance) C4'-P energy: -55.076
bonds (distance) P-C4' energy: -60.274
flat angles C4'-P-C4' energy: -57.209
flat angles P-C4'-P energy: -35.631
tors. eta vs tors. theta energy: -82.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -878.857259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.857259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.857259 (E_RNA)
where:
Base-Base interactions energy: -600.216
where: short stacking energy: -245.244
Base-Backbone interact. energy: 0.800
local terms energy: -279.441374
where:
bonds (distance) C4'-P energy: -54.581
bonds (distance) P-C4' energy: -55.394
flat angles C4'-P-C4' energy: -54.269
flat angles P-C4'-P energy: -40.166
tors. eta vs tors. theta energy: -75.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -858.229179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.229179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.229179 (E_RNA)
where:
Base-Base interactions energy: -588.093
where: short stacking energy: -249.273
Base-Backbone interact. energy: -1.438
local terms energy: -268.698299
where:
bonds (distance) C4'-P energy: -48.054
bonds (distance) P-C4' energy: -58.701
flat angles C4'-P-C4' energy: -54.411
flat angles P-C4'-P energy: -34.478
tors. eta vs tors. theta energy: -73.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -817.234248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.234248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.234248 (E_RNA)
where:
Base-Base interactions energy: -557.859
where: short stacking energy: -235.039
Base-Backbone interact. energy: -0.220
local terms energy: -259.155499
where:
bonds (distance) C4'-P energy: -50.679
bonds (distance) P-C4' energy: -50.575
flat angles C4'-P-C4' energy: -55.261
flat angles P-C4'-P energy: -36.377
tors. eta vs tors. theta energy: -66.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -794.420954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.420954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.420954 (E_RNA)
where:
Base-Base interactions energy: -537.498
where: short stacking energy: -221.601
Base-Backbone interact. energy: -0.458
local terms energy: -256.465190
where:
bonds (distance) C4'-P energy: -51.392
bonds (distance) P-C4' energy: -55.268
flat angles C4'-P-C4' energy: -52.221
flat angles P-C4'-P energy: -32.483
tors. eta vs tors. theta energy: -65.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -770.973644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.973644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.973644 (E_RNA)
where:
Base-Base interactions energy: -531.677
where: short stacking energy: -233.934
Base-Backbone interact. energy: 1.476
local terms energy: -240.772792
where:
bonds (distance) C4'-P energy: -41.709
bonds (distance) P-C4' energy: -46.426
flat angles C4'-P-C4' energy: -53.738
flat angles P-C4'-P energy: -31.000
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: 7, replica: 4
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -743.830142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.830142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.830142 (E_RNA)
where:
Base-Base interactions energy: -519.694
where: short stacking energy: -224.231
Base-Backbone interact. energy: -0.702
local terms energy: -223.434370
where:
bonds (distance) C4'-P energy: -38.018
bonds (distance) P-C4' energy: -41.098
flat angles C4'-P-C4' energy: -49.262
flat angles P-C4'-P energy: -35.277
tors. eta vs tors. theta energy: -59.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -717.723371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.723371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.723371 (E_RNA)
where:
Base-Base interactions energy: -486.101
where: short stacking energy: -212.289
Base-Backbone interact. energy: -0.957
local terms energy: -230.665340
where:
bonds (distance) C4'-P energy: -41.435
bonds (distance) P-C4' energy: -47.624
flat angles C4'-P-C4' energy: -46.008
flat angles P-C4'-P energy: -34.047
tors. eta vs tors. theta energy: -61.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -538.246378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.246378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.246378 (E_RNA)
where:
Base-Base interactions energy: -338.700
where: short stacking energy: -138.762
Base-Backbone interact. energy: -2.512
local terms energy: -197.034706
where:
bonds (distance) C4'-P energy: -47.231
bonds (distance) P-C4' energy: -52.266
flat angles C4'-P-C4' energy: -53.117
flat angles P-C4'-P energy: -23.623
tors. eta vs tors. theta energy: -20.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -207.417923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.417923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.417923 (E_RNA)
where:
Base-Base interactions energy: -89.258
where: short stacking energy: -64.227
Base-Backbone interact. energy: -2.328
local terms energy: -115.831535
where:
bonds (distance) C4'-P energy: -47.341
bonds (distance) P-C4' energy: -34.549
flat angles C4'-P-C4' energy: -37.328
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: 14.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -954.171986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.171986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.171986 (E_RNA)
where:
Base-Base interactions energy: -675.564
where: short stacking energy: -280.248
Base-Backbone interact. energy: -1.263
local terms energy: -277.344615
where:
bonds (distance) C4'-P energy: -51.507
bonds (distance) P-C4' energy: -47.548
flat angles C4'-P-C4' energy: -62.197
flat angles P-C4'-P energy: -36.707
tors. eta vs tors. theta energy: -79.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -859.912538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.912538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.912538 (E_RNA)
where:
Base-Base interactions energy: -601.440
where: short stacking energy: -253.095
Base-Backbone interact. energy: -1.582
local terms energy: -256.890738
where:
bonds (distance) C4'-P energy: -55.338
bonds (distance) P-C4' energy: -51.068
flat angles C4'-P-C4' energy: -49.546
flat angles P-C4'-P energy: -34.958
tors. eta vs tors. theta energy: -65.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -857.065422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.065422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.065422 (E_RNA)
where:
Base-Base interactions energy: -593.037
where: short stacking energy: -250.094
Base-Backbone interact. energy: -0.337
local terms energy: -263.692244
where:
bonds (distance) C4'-P energy: -46.182
bonds (distance) P-C4' energy: -46.252
flat angles C4'-P-C4' energy: -61.220
flat angles P-C4'-P energy: -43.140
tors. eta vs tors. theta energy: -66.899
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: 10
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -817.799325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.799325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.799325 (E_RNA)
where:
Base-Base interactions energy: -559.404
where: short stacking energy: -243.465
Base-Backbone interact. energy: 0.780
local terms energy: -259.175135
where:
bonds (distance) C4'-P energy: -44.170
bonds (distance) P-C4' energy: -52.126
flat angles C4'-P-C4' energy: -60.717
flat angles P-C4'-P energy: -33.253
tors. eta vs tors. theta energy: -68.909
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: 1
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -801.028875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.028875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.028875 (E_RNA)
where:
Base-Base interactions energy: -546.551
where: short stacking energy: -238.600
Base-Backbone interact. energy: -0.561
local terms energy: -253.917065
where:
bonds (distance) C4'-P energy: -41.483
bonds (distance) P-C4' energy: -56.742
flat angles C4'-P-C4' energy: -60.886
flat angles P-C4'-P energy: -37.229
tors. eta vs tors. theta energy: -57.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -778.031423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.031423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.031423 (E_RNA)
where:
Base-Base interactions energy: -546.366
where: short stacking energy: -217.026
Base-Backbone interact. energy: -0.550
local terms energy: -231.115996
where:
bonds (distance) C4'-P energy: -40.951
bonds (distance) P-C4' energy: -46.544
flat angles C4'-P-C4' energy: -47.924
flat angles P-C4'-P energy: -34.890
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: 3
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -725.454939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.454939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.454939 (E_RNA)
where:
Base-Base interactions energy: -509.696
where: short stacking energy: -226.638
Base-Backbone interact. energy: -1.671
local terms energy: -214.087364
where:
bonds (distance) C4'-P energy: -40.803
bonds (distance) P-C4' energy: -37.662
flat angles C4'-P-C4' energy: -49.141
flat angles P-C4'-P energy: -21.438
tors. eta vs tors. theta energy: -65.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -727.774315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.774315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.774315 (E_RNA)
where:
Base-Base interactions energy: -504.735
where: short stacking energy: -220.344
Base-Backbone interact. energy: 0.999
local terms energy: -224.038151
where:
bonds (distance) C4'-P energy: -40.217
bonds (distance) P-C4' energy: -53.157
flat angles C4'-P-C4' energy: -48.498
flat angles P-C4'-P energy: -25.826
tors. eta vs tors. theta energy: -56.340
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: 124
Temperature: 1.300000
Total energy: -525.550927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.550927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.550927 (E_RNA)
where:
Base-Base interactions energy: -338.018
where: short stacking energy: -146.140
Base-Backbone interact. energy: -0.812
local terms energy: -186.721059
where:
bonds (distance) C4'-P energy: -40.913
bonds (distance) P-C4' energy: -42.621
flat angles C4'-P-C4' energy: -52.833
flat angles P-C4'-P energy: -25.507
tors. eta vs tors. theta energy: -24.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -223.028656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.028656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.028656 (E_RNA)
where:
Base-Base interactions energy: -75.785
where: short stacking energy: -58.231
Base-Backbone interact. energy: -0.778
local terms energy: -146.466412
where:
bonds (distance) C4'-P energy: -39.150
bonds (distance) P-C4' energy: -54.485
flat angles C4'-P-C4' energy: -30.561
flat angles P-C4'-P energy: -21.493
tors. eta vs tors. theta energy: -0.778
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: 1, replica: 8
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -958.861981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.861981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.861981 (E_RNA)
where:
Base-Base interactions energy: -670.579
where: short stacking energy: -285.183
Base-Backbone interact. energy: -0.367
local terms energy: -287.916108
where:
bonds (distance) C4'-P energy: -53.845
bonds (distance) P-C4' energy: -49.655
flat angles C4'-P-C4' energy: -55.504
flat angles P-C4'-P energy: -45.381
tors. eta vs tors. theta energy: -83.530
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: 125
Temperature: 0.950000
Total energy: -898.988503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.988503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.988503 (E_RNA)
where:
Base-Base interactions energy: -618.925
where: short stacking energy: -268.526
Base-Backbone interact. energy: -0.567
local terms energy: -279.496876
where:
bonds (distance) C4'-P energy: -54.659
bonds (distance) P-C4' energy: -49.991
flat angles C4'-P-C4' energy: -58.388
flat angles P-C4'-P energy: -38.174
tors. eta vs tors. theta energy: -78.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -857.618892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.618892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.618892 (E_RNA)
where:
Base-Base interactions energy: -598.454
where: short stacking energy: -228.174
Base-Backbone interact. energy: -1.377
local terms energy: -257.788538
where:
bonds (distance) C4'-P energy: -50.244
bonds (distance) P-C4' energy: -40.865
flat angles C4'-P-C4' energy: -58.481
flat angles P-C4'-P energy: -42.523
tors. eta vs tors. theta energy: -65.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -823.282630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.282630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.282630 (E_RNA)
where:
Base-Base interactions energy: -572.030
where: short stacking energy: -245.034
Base-Backbone interact. energy: -0.693
local terms energy: -250.559194
where:
bonds (distance) C4'-P energy: -41.169
bonds (distance) P-C4' energy: -57.457
flat angles C4'-P-C4' energy: -56.524
flat angles P-C4'-P energy: -26.419
tors. eta vs tors. theta energy: -68.990
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: 10
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -820.507831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.507831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.507831 (E_RNA)
where:
Base-Base interactions energy: -558.928
where: short stacking energy: -230.102
Base-Backbone interact. energy: -0.174
local terms energy: -261.405645
where:
bonds (distance) C4'-P energy: -41.445
bonds (distance) P-C4' energy: -49.745
flat angles C4'-P-C4' energy: -54.896
flat angles P-C4'-P energy: -45.958
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: 6, replica: 5
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -800.403417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.403417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.403417 (E_RNA)
where:
Base-Base interactions energy: -563.337
where: short stacking energy: -241.347
Base-Backbone interact. energy: -1.599
local terms energy: -235.467766
where:
bonds (distance) C4'-P energy: -37.768
bonds (distance) P-C4' energy: -44.734
flat angles C4'-P-C4' energy: -51.678
flat angles P-C4'-P energy: -38.391
tors. eta vs tors. theta energy: -62.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -716.542648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.542648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.542648 (E_RNA)
where:
Base-Base interactions energy: -497.289
where: short stacking energy: -216.004
Base-Backbone interact. energy: -0.244
local terms energy: -219.009503
where:
bonds (distance) C4'-P energy: -35.349
bonds (distance) P-C4' energy: -49.803
flat angles C4'-P-C4' energy: -46.830
flat angles P-C4'-P energy: -32.410
tors. eta vs tors. theta energy: -54.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -732.734630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.734630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.734630 (E_RNA)
where:
Base-Base interactions energy: -483.754
where: short stacking energy: -199.595
Base-Backbone interact. energy: 0.794
local terms energy: -249.774704
where:
bonds (distance) C4'-P energy: -46.421
bonds (distance) P-C4' energy: -46.540
flat angles C4'-P-C4' energy: -53.585
flat angles P-C4'-P energy: -36.154
tors. eta vs tors. theta energy: -67.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -487.279072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.279072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.279072 (E_RNA)
where:
Base-Base interactions energy: -294.875
where: short stacking energy: -136.507
Base-Backbone interact. energy: -1.113
local terms energy: -191.290988
where:
bonds (distance) C4'-P energy: -31.721
bonds (distance) P-C4' energy: -47.476
flat angles C4'-P-C4' energy: -53.884
flat angles P-C4'-P energy: -27.845
tors. eta vs tors. theta energy: -30.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -228.369718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.369718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.369718 (E_RNA)
where:
Base-Base interactions energy: -87.550
where: short stacking energy: -70.744
Base-Backbone interact. energy: -1.099
local terms energy: -139.720930
where:
bonds (distance) C4'-P energy: -45.875
bonds (distance) P-C4' energy: -50.133
flat angles C4'-P-C4' energy: -35.361
flat angles P-C4'-P energy: -19.576
tors. eta vs tors. theta energy: 11.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -952.174995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.174995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.174995 (E_RNA)
where:
Base-Base interactions energy: -667.198
where: short stacking energy: -265.275
Base-Backbone interact. energy: -0.960
local terms energy: -284.017240
where:
bonds (distance) C4'-P energy: -50.801
bonds (distance) P-C4' energy: -57.629
flat angles C4'-P-C4' energy: -63.758
flat angles P-C4'-P energy: -34.825
tors. eta vs tors. theta energy: -77.003
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: 126
Temperature: 0.950000
Total energy: -901.944621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.944621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.944621 (E_RNA)
where:
Base-Base interactions energy: -623.222
where: short stacking energy: -257.013
Base-Backbone interact. energy: -0.974
local terms energy: -277.748713
where:
bonds (distance) C4'-P energy: -49.075
bonds (distance) P-C4' energy: -57.554
flat angles C4'-P-C4' energy: -61.996
flat angles P-C4'-P energy: -40.376
tors. eta vs tors. theta energy: -68.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -847.136598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.136598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.136598 (E_RNA)
where:
Base-Base interactions energy: -577.238
where: short stacking energy: -273.343
Base-Backbone interact. energy: -0.446
local terms energy: -269.452763
where:
bonds (distance) C4'-P energy: -45.174
bonds (distance) P-C4' energy: -55.107
flat angles C4'-P-C4' energy: -58.926
flat angles P-C4'-P energy: -33.352
tors. eta vs tors. theta energy: -76.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -797.380942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.380942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.380942 (E_RNA)
where:
Base-Base interactions energy: -562.333
where: short stacking energy: -237.893
Base-Backbone interact. energy: -2.013
local terms energy: -233.034376
where:
bonds (distance) C4'-P energy: -24.627
bonds (distance) P-C4' energy: -45.199
flat angles C4'-P-C4' energy: -58.606
flat angles P-C4'-P energy: -40.910
tors. eta vs tors. theta energy: -63.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -813.990021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.990021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.990021 (E_RNA)
where:
Base-Base interactions energy: -554.508
where: short stacking energy: -222.167
Base-Backbone interact. energy: -0.165
local terms energy: -259.316400
where:
bonds (distance) C4'-P energy: -47.256
bonds (distance) P-C4' energy: -54.124
flat angles C4'-P-C4' energy: -56.324
flat angles P-C4'-P energy: -37.162
tors. eta vs tors. theta energy: -64.450
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: 6, replica: 10
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -779.085329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.085329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.085329 (E_RNA)
where:
Base-Base interactions energy: -541.942
where: short stacking energy: -216.910
Base-Backbone interact. energy: -1.698
local terms energy: -235.445421
where:
bonds (distance) C4'-P energy: -38.354
bonds (distance) P-C4' energy: -51.315
flat angles C4'-P-C4' energy: -47.437
flat angles P-C4'-P energy: -37.230
tors. eta vs tors. theta energy: -61.109
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: 3
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -718.283754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.283754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.283754 (E_RNA)
where:
Base-Base interactions energy: -483.734
where: short stacking energy: -204.182
Base-Backbone interact. energy: 2.322
local terms energy: -236.872144
where:
bonds (distance) C4'-P energy: -49.712
bonds (distance) P-C4' energy: -47.192
flat angles C4'-P-C4' energy: -52.570
flat angles P-C4'-P energy: -29.137
tors. eta vs tors. theta energy: -58.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -709.043513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.043513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.043513 (E_RNA)
where:
Base-Base interactions energy: -481.635
where: short stacking energy: -198.834
Base-Backbone interact. energy: -0.368
local terms energy: -227.040475
where:
bonds (distance) C4'-P energy: -54.080
bonds (distance) P-C4' energy: -37.911
flat angles C4'-P-C4' energy: -53.403
flat angles P-C4'-P energy: -29.194
tors. eta vs tors. theta energy: -52.451
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: 126
Temperature: 1.300000
Total energy: -431.137899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.137899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.137899 (E_RNA)
where:
Base-Base interactions energy: -257.429
where: short stacking energy: -126.129
Base-Backbone interact. energy: 1.765
local terms energy: -175.473657
where:
bonds (distance) C4'-P energy: -42.208
bonds (distance) P-C4' energy: -48.683
flat angles C4'-P-C4' energy: -40.801
flat angles P-C4'-P energy: -27.613
tors. eta vs tors. theta energy: -16.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -222.430021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.430021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.430021 (E_RNA)
where:
Base-Base interactions energy: -79.044
where: short stacking energy: -74.496
Base-Backbone interact. energy: 1.292
local terms energy: -144.678082
where:
bonds (distance) C4'-P energy: -46.103
bonds (distance) P-C4' energy: -45.606
flat angles C4'-P-C4' energy: -34.671
flat angles P-C4'-P energy: -25.780
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: 8
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -950.729026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.729026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.729026 (E_RNA)
where:
Base-Base interactions energy: -668.018
where: short stacking energy: -269.515
Base-Backbone interact. energy: -1.573
local terms energy: -281.137105
where:
bonds (distance) C4'-P energy: -48.829
bonds (distance) P-C4' energy: -55.067
flat angles C4'-P-C4' energy: -62.561
flat angles P-C4'-P energy: -34.967
tors. eta vs tors. theta energy: -79.714
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: 2
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -895.728221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.728221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.728221 (E_RNA)
where:
Base-Base interactions energy: -604.935
where: short stacking energy: -263.621
Base-Backbone interact. energy: -0.338
local terms energy: -290.454536
where:
bonds (distance) C4'-P energy: -56.235
bonds (distance) P-C4' energy: -50.791
flat angles C4'-P-C4' energy: -58.829
flat angles P-C4'-P energy: -43.757
tors. eta vs tors. theta energy: -80.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -852.524172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.524172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.524172 (E_RNA)
where:
Base-Base interactions energy: -580.743
where: short stacking energy: -259.875
Base-Backbone interact. energy: -0.694
local terms energy: -271.087065
where:
bonds (distance) C4'-P energy: -50.696
bonds (distance) P-C4' energy: -48.006
flat angles C4'-P-C4' energy: -59.578
flat angles P-C4'-P energy: -38.082
tors. eta vs tors. theta energy: -74.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -851.490231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.490231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.490231 (E_RNA)
where:
Base-Base interactions energy: -582.260
where: short stacking energy: -252.159
Base-Backbone interact. energy: 0.274
local terms energy: -269.503471
where:
bonds (distance) C4'-P energy: -50.522
bonds (distance) P-C4' energy: -48.781
flat angles C4'-P-C4' energy: -55.365
flat angles P-C4'-P energy: -38.982
tors. eta vs tors. theta energy: -75.853
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: 127
Temperature: 1.100000
Total energy: -800.800650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.800650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.800650 (E_RNA)
where:
Base-Base interactions energy: -554.617
where: short stacking energy: -228.359
Base-Backbone interact. energy: -0.367
local terms energy: -245.816975
where:
bonds (distance) C4'-P energy: -45.042
bonds (distance) P-C4' energy: -50.972
flat angles C4'-P-C4' energy: -53.401
flat angles P-C4'-P energy: -35.218
tors. eta vs tors. theta energy: -61.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -731.326189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.326189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.326189 (E_RNA)
where:
Base-Base interactions energy: -494.677
where: short stacking energy: -208.951
Base-Backbone interact. energy: -0.627
local terms energy: -236.022031
where:
bonds (distance) C4'-P energy: -41.716
bonds (distance) P-C4' energy: -49.259
flat angles C4'-P-C4' energy: -48.977
flat angles P-C4'-P energy: -33.639
tors. eta vs tors. theta energy: -62.431
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: 10
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -778.129846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.129846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.129846 (E_RNA)
where:
Base-Base interactions energy: -531.851
where: short stacking energy: -230.864
Base-Backbone interact. energy: -0.726
local terms energy: -245.552771
where:
bonds (distance) C4'-P energy: -41.805
bonds (distance) P-C4' energy: -49.541
flat angles C4'-P-C4' energy: -51.337
flat angles P-C4'-P energy: -32.160
tors. eta vs tors. theta energy: -70.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -727.089215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.089215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.089215 (E_RNA)
where:
Base-Base interactions energy: -494.350
where: short stacking energy: -205.116
Base-Backbone interact. energy: -0.499
local terms energy: -232.240356
where:
bonds (distance) C4'-P energy: -45.729
bonds (distance) P-C4' energy: -42.264
flat angles C4'-P-C4' energy: -46.758
flat angles P-C4'-P energy: -31.137
tors. eta vs tors. theta energy: -66.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -479.634169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.634169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.634169 (E_RNA)
where:
Base-Base interactions energy: -293.384
where: short stacking energy: -129.229
Base-Backbone interact. energy: -1.204
local terms energy: -185.046185
where:
bonds (distance) C4'-P energy: -44.544
bonds (distance) P-C4' energy: -54.105
flat angles C4'-P-C4' energy: -42.646
flat angles P-C4'-P energy: -26.157
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: 10, replica: 6
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -284.452553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.452553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.452553 (E_RNA)
where:
Base-Base interactions energy: -126.572
where: short stacking energy: -73.292
Base-Backbone interact. energy: 2.279
local terms energy: -160.158847
where:
bonds (distance) C4'-P energy: -42.373
bonds (distance) P-C4' energy: -55.124
flat angles C4'-P-C4' energy: -28.866
flat angles P-C4'-P energy: -27.575
tors. eta vs tors. theta energy: -6.221
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: 8
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -944.903234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.903234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.903234 (E_RNA)
where:
Base-Base interactions energy: -658.508
where: short stacking energy: -254.284
Base-Backbone interact. energy: -1.976
local terms energy: -284.418914
where:
bonds (distance) C4'-P energy: -51.545
bonds (distance) P-C4' energy: -55.229
flat angles C4'-P-C4' energy: -61.921
flat angles P-C4'-P energy: -38.967
tors. eta vs tors. theta energy: -76.757
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: 2
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -868.380720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.380720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.380720 (E_RNA)
where:
Base-Base interactions energy: -598.426
where: short stacking energy: -240.413
Base-Backbone interact. energy: -0.439
local terms energy: -269.515172
where:
bonds (distance) C4'-P energy: -51.706
bonds (distance) P-C4' energy: -43.043
flat angles C4'-P-C4' energy: -60.619
flat angles P-C4'-P energy: -43.778
tors. eta vs tors. theta energy: -70.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -862.580649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.580649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.580649 (E_RNA)
where:
Base-Base interactions energy: -568.558
where: short stacking energy: -264.173
Base-Backbone interact. energy: -1.373
local terms energy: -292.649387
where:
bonds (distance) C4'-P energy: -58.649
bonds (distance) P-C4' energy: -54.352
flat angles C4'-P-C4' energy: -59.631
flat angles P-C4'-P energy: -36.449
tors. eta vs tors. theta energy: -83.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -852.209764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.209764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.209764 (E_RNA)
where:
Base-Base interactions energy: -600.468
where: short stacking energy: -255.676
Base-Backbone interact. energy: 0.528
local terms energy: -252.269254
where:
bonds (distance) C4'-P energy: -45.880
bonds (distance) P-C4' energy: -48.499
flat angles C4'-P-C4' energy: -58.256
flat angles P-C4'-P energy: -32.474
tors. eta vs tors. theta energy: -67.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -794.027801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.027801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.027801 (E_RNA)
where:
Base-Base interactions energy: -560.737
where: short stacking energy: -244.933
Base-Backbone interact. energy: -2.308
local terms energy: -230.982167
where:
bonds (distance) C4'-P energy: -45.498
bonds (distance) P-C4' energy: -43.857
flat angles C4'-P-C4' energy: -41.333
flat angles P-C4'-P energy: -36.053
tors. eta vs tors. theta energy: -64.241
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: 3
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -744.884245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.884245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.884245 (E_RNA)
where:
Base-Base interactions energy: -496.083
where: short stacking energy: -212.374
Base-Backbone interact. energy: -0.342
local terms energy: -248.459065
where:
bonds (distance) C4'-P energy: -43.194
bonds (distance) P-C4' energy: -48.785
flat angles C4'-P-C4' energy: -55.280
flat angles P-C4'-P energy: -40.061
tors. eta vs tors. theta energy: -61.139
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: 4
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -737.880115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.880115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.880115 (E_RNA)
where:
Base-Base interactions energy: -516.809
where: short stacking energy: -205.258
Base-Backbone interact. energy: -1.523
local terms energy: -219.548434
where:
bonds (distance) C4'-P energy: -45.298
bonds (distance) P-C4' energy: -47.169
flat angles C4'-P-C4' energy: -48.096
flat angles P-C4'-P energy: -27.533
tors. eta vs tors. theta energy: -51.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -730.824459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.824459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.824459 (E_RNA)
where:
Base-Base interactions energy: -513.297
where: short stacking energy: -206.224
Base-Backbone interact. energy: 1.084
local terms energy: -218.611890
where:
bonds (distance) C4'-P energy: -36.064
bonds (distance) P-C4' energy: -39.310
flat angles C4'-P-C4' energy: -49.859
flat angles P-C4'-P energy: -36.142
tors. eta vs tors. theta energy: -57.237
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: 9, replica: 9
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -460.444038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.444038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.444038 (E_RNA)
where:
Base-Base interactions energy: -272.631
where: short stacking energy: -125.242
Base-Backbone interact. energy: -1.146
local terms energy: -186.667080
where:
bonds (distance) C4'-P energy: -46.208
bonds (distance) P-C4' energy: -46.406
flat angles C4'-P-C4' energy: -41.053
flat angles P-C4'-P energy: -31.183
tors. eta vs tors. theta energy: -21.817
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: 6
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -266.325071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.325071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.325071 (E_RNA)
where:
Base-Base interactions energy: -118.861
where: short stacking energy: -61.156
Base-Backbone interact. energy: 0.684
local terms energy: -148.148335
where:
bonds (distance) C4'-P energy: -49.045
bonds (distance) P-C4' energy: -51.280
flat angles C4'-P-C4' energy: -33.458
flat angles P-C4'-P energy: -22.030
tors. eta vs tors. theta energy: 7.665
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: 8
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -944.891431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.891431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.891431 (E_RNA)
where:
Base-Base interactions energy: -656.342
where: short stacking energy: -261.915
Base-Backbone interact. energy: -0.501
local terms energy: -288.048115
where:
bonds (distance) C4'-P energy: -58.482
bonds (distance) P-C4' energy: -56.893
flat angles C4'-P-C4' energy: -60.668
flat angles P-C4'-P energy: -36.074
tors. eta vs tors. theta energy: -75.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -909.190749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.190749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.190749 (E_RNA)
where:
Base-Base interactions energy: -616.071
where: short stacking energy: -288.635
Base-Backbone interact. energy: -0.524
local terms energy: -292.595806
where:
bonds (distance) C4'-P energy: -42.551
bonds (distance) P-C4' energy: -57.823
flat angles C4'-P-C4' energy: -61.214
flat angles P-C4'-P energy: -43.838
tors. eta vs tors. theta energy: -87.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -879.288241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.288241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.288241 (E_RNA)
where:
Base-Base interactions energy: -607.543
where: short stacking energy: -260.023
Base-Backbone interact. energy: -0.178
local terms energy: -271.568051
where:
bonds (distance) C4'-P energy: -46.540
bonds (distance) P-C4' energy: -47.365
flat angles C4'-P-C4' energy: -58.722
flat angles P-C4'-P energy: -39.267
tors. eta vs tors. theta energy: -79.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -815.267443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.267443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.267443 (E_RNA)
where:
Base-Base interactions energy: -565.227
where: short stacking energy: -226.815
Base-Backbone interact. energy: -0.746
local terms energy: -249.294718
where:
bonds (distance) C4'-P energy: -50.208
bonds (distance) P-C4' energy: -50.169
flat angles C4'-P-C4' energy: -47.756
flat angles P-C4'-P energy: -36.247
tors. eta vs tors. theta energy: -64.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -823.488630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.488630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.488630 (E_RNA)
where:
Base-Base interactions energy: -560.600
where: short stacking energy: -242.968
Base-Backbone interact. energy: -0.628
local terms energy: -262.260374
where:
bonds (distance) C4'-P energy: -44.528
bonds (distance) P-C4' energy: -44.459
flat angles C4'-P-C4' energy: -56.668
flat angles P-C4'-P energy: -43.677
tors. eta vs tors. theta energy: -72.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -711.170024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.170024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.170024 (E_RNA)
where:
Base-Base interactions energy: -480.346
where: short stacking energy: -202.685
Base-Backbone interact. energy: -0.770
local terms energy: -230.054456
where:
bonds (distance) C4'-P energy: -47.110
bonds (distance) P-C4' energy: -50.857
flat angles C4'-P-C4' energy: -45.328
flat angles P-C4'-P energy: -34.887
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: 7, replica: 4
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -757.795447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.795447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.795447 (E_RNA)
where:
Base-Base interactions energy: -535.681
where: short stacking energy: -208.040
Base-Backbone interact. energy: 1.327
local terms energy: -223.441153
where:
bonds (distance) C4'-P energy: -53.245
bonds (distance) P-C4' energy: -36.774
flat angles C4'-P-C4' energy: -49.513
flat angles P-C4'-P energy: -30.624
tors. eta vs tors. theta energy: -53.285
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: 10
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -753.765761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.765761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.765761 (E_RNA)
where:
Base-Base interactions energy: -527.873
where: short stacking energy: -214.660
Base-Backbone interact. energy: -0.382
local terms energy: -225.510945
where:
bonds (distance) C4'-P energy: -38.002
bonds (distance) P-C4' energy: -42.987
flat angles C4'-P-C4' energy: -58.174
flat angles P-C4'-P energy: -32.323
tors. eta vs tors. theta energy: -54.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -471.993407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.993407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.993407 (E_RNA)
where:
Base-Base interactions energy: -272.459
where: short stacking energy: -134.104
Base-Backbone interact. energy: 1.079
local terms energy: -200.613373
where:
bonds (distance) C4'-P energy: -43.007
bonds (distance) P-C4' energy: -49.081
flat angles C4'-P-C4' energy: -42.789
flat angles P-C4'-P energy: -35.971
tors. eta vs tors. theta energy: -29.766
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: 6
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -266.410301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.410301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.410301 (E_RNA)
where:
Base-Base interactions energy: -121.604
where: short stacking energy: -65.885
Base-Backbone interact. energy: -1.705
local terms energy: -143.101684
where:
bonds (distance) C4'-P energy: -51.374
bonds (distance) P-C4' energy: -54.591
flat angles C4'-P-C4' energy: -39.881
flat angles P-C4'-P energy: -12.417
tors. eta vs tors. theta energy: 15.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -954.368271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.368271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.368271 (E_RNA)
where:
Base-Base interactions energy: -680.069
where: short stacking energy: -264.283
Base-Backbone interact. energy: -0.894
local terms energy: -273.405312
where:
bonds (distance) C4'-P energy: -48.840
bonds (distance) P-C4' energy: -54.256
flat angles C4'-P-C4' energy: -53.707
flat angles P-C4'-P energy: -40.497
tors. eta vs tors. theta energy: -76.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -889.496147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.496147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.496147 (E_RNA)
where:
Base-Base interactions energy: -611.739
where: short stacking energy: -286.315
Base-Backbone interact. energy: 0.585
local terms energy: -278.342329
where:
bonds (distance) C4'-P energy: -43.579
bonds (distance) P-C4' energy: -47.752
flat angles C4'-P-C4' energy: -60.709
flat angles P-C4'-P energy: -44.673
tors. eta vs tors. theta energy: -81.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -870.273932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.273932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.273932 (E_RNA)
where:
Base-Base interactions energy: -608.255
where: short stacking energy: -254.822
Base-Backbone interact. energy: -0.164
local terms energy: -261.854514
where:
bonds (distance) C4'-P energy: -40.285
bonds (distance) P-C4' energy: -48.831
flat angles C4'-P-C4' energy: -55.938
flat angles P-C4'-P energy: -41.190
tors. eta vs tors. theta energy: -75.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -824.642185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.642185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.642185 (E_RNA)
where:
Base-Base interactions energy: -569.331
where: short stacking energy: -243.478
Base-Backbone interact. energy: -0.460
local terms energy: -254.851705
where:
bonds (distance) C4'-P energy: -44.416
bonds (distance) P-C4' energy: -51.916
flat angles C4'-P-C4' energy: -51.883
flat angles P-C4'-P energy: -33.679
tors. eta vs tors. theta energy: -72.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -839.919572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.919572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.919572 (E_RNA)
where:
Base-Base interactions energy: -568.517
where: short stacking energy: -234.054
Base-Backbone interact. energy: 0.274
local terms energy: -271.677257
where:
bonds (distance) C4'-P energy: -50.940
bonds (distance) P-C4' energy: -52.891
flat angles C4'-P-C4' energy: -57.504
flat angles P-C4'-P energy: -46.028
tors. eta vs tors. theta energy: -64.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -718.174661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.174661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.174661 (E_RNA)
where:
Base-Base interactions energy: -491.585
where: short stacking energy: -191.103
Base-Backbone interact. energy: -0.376
local terms energy: -226.213277
where:
bonds (distance) C4'-P energy: -46.900
bonds (distance) P-C4' energy: -49.702
flat angles C4'-P-C4' energy: -44.736
flat angles P-C4'-P energy: -33.513
tors. eta vs tors. theta energy: -51.364
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: 4
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -760.942823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.942823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.942823 (E_RNA)
where:
Base-Base interactions energy: -512.418
where: short stacking energy: -216.646
Base-Backbone interact. energy: -0.805
local terms energy: -247.719040
where:
bonds (distance) C4'-P energy: -48.425
bonds (distance) P-C4' energy: -46.334
flat angles C4'-P-C4' energy: -56.980
flat angles P-C4'-P energy: -33.323
tors. eta vs tors. theta energy: -62.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -742.190708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.190708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.190708 (E_RNA)
where:
Base-Base interactions energy: -507.122
where: short stacking energy: -216.523
Base-Backbone interact. energy: -0.641
local terms energy: -234.428283
where:
bonds (distance) C4'-P energy: -43.034
bonds (distance) P-C4' energy: -38.207
flat angles C4'-P-C4' energy: -47.608
flat angles P-C4'-P energy: -39.507
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: 9, replica: 9
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -462.427882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.427882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.427882 (E_RNA)
where:
Base-Base interactions energy: -288.408
where: short stacking energy: -122.701
Base-Backbone interact. energy: -2.308
local terms energy: -171.711738
where:
bonds (distance) C4'-P energy: -39.553
bonds (distance) P-C4' energy: -47.964
flat angles C4'-P-C4' energy: -32.515
flat angles P-C4'-P energy: -31.505
tors. eta vs tors. theta energy: -20.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -234.937708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.937708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.937708 (E_RNA)
where:
Base-Base interactions energy: -76.365
where: short stacking energy: -68.401
Base-Backbone interact. energy: -1.660
local terms energy: -156.912836
where:
bonds (distance) C4'-P energy: -49.351
bonds (distance) P-C4' energy: -48.588
flat angles C4'-P-C4' energy: -39.924
flat angles P-C4'-P energy: -22.985
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: 1, replica: 8
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -956.089580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.089580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.089580 (E_RNA)
where:
Base-Base interactions energy: -667.561
where: short stacking energy: -270.246
Base-Backbone interact. energy: -1.414
local terms energy: -287.114691
where:
bonds (distance) C4'-P energy: -54.198
bonds (distance) P-C4' energy: -50.555
flat angles C4'-P-C4' energy: -60.103
flat angles P-C4'-P energy: -39.694
tors. eta vs tors. theta energy: -82.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -898.102135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.102135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.102135 (E_RNA)
where:
Base-Base interactions energy: -605.842
where: short stacking energy: -263.693
Base-Backbone interact. energy: -0.193
local terms energy: -292.066342
where:
bonds (distance) C4'-P energy: -51.378
bonds (distance) P-C4' energy: -56.139
flat angles C4'-P-C4' energy: -59.323
flat angles P-C4'-P energy: -44.239
tors. eta vs tors. theta energy: -80.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -870.427365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.427365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.427365 (E_RNA)
where:
Base-Base interactions energy: -601.497
where: short stacking energy: -236.036
Base-Backbone interact. energy: -1.406
local terms energy: -267.524118
where:
bonds (distance) C4'-P energy: -48.423
bonds (distance) P-C4' energy: -51.768
flat angles C4'-P-C4' energy: -58.129
flat angles P-C4'-P energy: -41.894
tors. eta vs tors. theta energy: -67.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -830.290721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.290721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.290721 (E_RNA)
where:
Base-Base interactions energy: -569.810
where: short stacking energy: -248.814
Base-Backbone interact. energy: -0.767
local terms energy: -259.714272
where:
bonds (distance) C4'-P energy: -53.137
bonds (distance) P-C4' energy: -43.406
flat angles C4'-P-C4' energy: -57.775
flat angles P-C4'-P energy: -32.956
tors. eta vs tors. theta energy: -72.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -816.400329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.400329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.400329 (E_RNA)
where:
Base-Base interactions energy: -574.525
where: short stacking energy: -235.212
Base-Backbone interact. energy: 0.879
local terms energy: -242.754008
where:
bonds (distance) C4'-P energy: -54.820
bonds (distance) P-C4' energy: -47.616
flat angles C4'-P-C4' energy: -54.303
flat angles P-C4'-P energy: -25.323
tors. eta vs tors. theta energy: -60.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -746.476849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.476849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.476849 (E_RNA)
where:
Base-Base interactions energy: -514.859
where: short stacking energy: -226.601
Base-Backbone interact. energy: -0.222
local terms energy: -231.395656
where:
bonds (distance) C4'-P energy: -40.380
bonds (distance) P-C4' energy: -46.741
flat angles C4'-P-C4' energy: -53.243
flat angles P-C4'-P energy: -30.558
tors. eta vs tors. theta energy: -60.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -753.214401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.214401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.214401 (E_RNA)
where:
Base-Base interactions energy: -526.962
where: short stacking energy: -225.999
Base-Backbone interact. energy: 2.933
local terms energy: -229.184644
where:
bonds (distance) C4'-P energy: -36.943
bonds (distance) P-C4' energy: -48.140
flat angles C4'-P-C4' energy: -48.271
flat angles P-C4'-P energy: -34.840
tors. eta vs tors. theta energy: -60.991
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: 10
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -725.916293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.916293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.916293 (E_RNA)
where:
Base-Base interactions energy: -513.979
where: short stacking energy: -213.733
Base-Backbone interact. energy: -0.312
local terms energy: -211.625874
where:
bonds (distance) C4'-P energy: -29.715
bonds (distance) P-C4' energy: -36.399
flat angles C4'-P-C4' energy: -52.542
flat angles P-C4'-P energy: -28.955
tors. eta vs tors. theta energy: -64.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -451.781375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.781375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.781375 (E_RNA)
where:
Base-Base interactions energy: -272.075
where: short stacking energy: -122.486
Base-Backbone interact. energy: 0.284
local terms energy: -179.990760
where:
bonds (distance) C4'-P energy: -42.199
bonds (distance) P-C4' energy: -38.108
flat angles C4'-P-C4' energy: -49.014
flat angles P-C4'-P energy: -21.985
tors. eta vs tors. theta energy: -28.684
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: 6
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -233.008138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.008138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.008138 (E_RNA)
where:
Base-Base interactions energy: -78.313
where: short stacking energy: -52.539
Base-Backbone interact. energy: 3.017
local terms energy: -157.711721
where:
bonds (distance) C4'-P energy: -47.308
bonds (distance) P-C4' energy: -51.072
flat angles C4'-P-C4' energy: -25.696
flat angles P-C4'-P energy: -34.432
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: 1, replica: 1
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -907.184675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.184675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.184675 (E_RNA)
where:
Base-Base interactions energy: -609.023
where: short stacking energy: -281.046
Base-Backbone interact. energy: -0.045
local terms energy: -298.116447
where:
bonds (distance) C4'-P energy: -55.206
bonds (distance) P-C4' energy: -58.759
flat angles C4'-P-C4' energy: -60.934
flat angles P-C4'-P energy: -38.272
tors. eta vs tors. theta energy: -84.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -943.660715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.660715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.660715 (E_RNA)
where:
Base-Base interactions energy: -658.324
where: short stacking energy: -269.489
Base-Backbone interact. energy: -1.726
local terms energy: -283.610481
where:
bonds (distance) C4'-P energy: -49.847
bonds (distance) P-C4' energy: -43.519
flat angles C4'-P-C4' energy: -63.687
flat angles P-C4'-P energy: -42.681
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: 3, replica: 2
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -847.301266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.301266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.301266 (E_RNA)
where:
Base-Base interactions energy: -592.243
where: short stacking energy: -245.951
Base-Backbone interact. energy: -0.681
local terms energy: -254.376512
where:
bonds (distance) C4'-P energy: -52.287
bonds (distance) P-C4' energy: -49.952
flat angles C4'-P-C4' energy: -48.085
flat angles P-C4'-P energy: -39.800
tors. eta vs tors. theta energy: -64.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -827.785977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.785977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.785977 (E_RNA)
where:
Base-Base interactions energy: -569.209
where: short stacking energy: -250.090
Base-Backbone interact. energy: -1.398
local terms energy: -257.178837
where:
bonds (distance) C4'-P energy: -47.184
bonds (distance) P-C4' energy: -52.340
flat angles C4'-P-C4' energy: -54.663
flat angles P-C4'-P energy: -30.258
tors. eta vs tors. theta energy: -72.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -797.372638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.372638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.372638 (E_RNA)
where:
Base-Base interactions energy: -548.653
where: short stacking energy: -218.703
Base-Backbone interact. energy: -0.674
local terms energy: -248.045027
where:
bonds (distance) C4'-P energy: -47.199
bonds (distance) P-C4' energy: -50.406
flat angles C4'-P-C4' energy: -54.959
flat angles P-C4'-P energy: -40.565
tors. eta vs tors. theta energy: -54.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -784.122729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.122729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.122729 (E_RNA)
where:
Base-Base interactions energy: -547.697
where: short stacking energy: -222.029
Base-Backbone interact. energy: -0.686
local terms energy: -235.739839
where:
bonds (distance) C4'-P energy: -44.218
bonds (distance) P-C4' energy: -50.640
flat angles C4'-P-C4' energy: -46.209
flat angles P-C4'-P energy: -30.687
tors. eta vs tors. theta energy: -63.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -763.374541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.374541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.374541 (E_RNA)
where:
Base-Base interactions energy: -531.164
where: short stacking energy: -217.792
Base-Backbone interact. energy: -1.075
local terms energy: -231.135588
where:
bonds (distance) C4'-P energy: -45.525
bonds (distance) P-C4' energy: -44.692
flat angles C4'-P-C4' energy: -50.107
flat angles P-C4'-P energy: -28.308
tors. eta vs tors. theta energy: -62.503
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: 8, replica: 3
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -749.069722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.069722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.069722 (E_RNA)
where:
Base-Base interactions energy: -518.974
where: short stacking energy: -214.924
Base-Backbone interact. energy: -0.323
local terms energy: -229.772684
where:
bonds (distance) C4'-P energy: -51.389
bonds (distance) P-C4' energy: -39.988
flat angles C4'-P-C4' energy: -41.374
flat angles P-C4'-P energy: -32.878
tors. eta vs tors. theta energy: -64.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -508.337623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.337623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.337623 (E_RNA)
where:
Base-Base interactions energy: -322.780
where: short stacking energy: -152.714
Base-Backbone interact. energy: -1.624
local terms energy: -183.934235
where:
bonds (distance) C4'-P energy: -42.148
bonds (distance) P-C4' energy: -44.706
flat angles C4'-P-C4' energy: -39.540
flat angles P-C4'-P energy: -24.119
tors. eta vs tors. theta energy: -33.421
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: 10, replica: 6
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -247.459045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.459045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.459045 (E_RNA)
where:
Base-Base interactions energy: -99.988
where: short stacking energy: -87.456
Base-Backbone interact. energy: -1.181
local terms energy: -146.289649
where:
bonds (distance) C4'-P energy: -36.624
bonds (distance) P-C4' energy: -42.767
flat angles C4'-P-C4' energy: -36.916
flat angles P-C4'-P energy: -23.581
tors. eta vs tors. theta energy: -6.402
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: 133
Temperature: 0.900000
Total energy: -905.006529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.006529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.006529 (E_RNA)
where:
Base-Base interactions energy: -624.088
where: short stacking energy: -289.488
Base-Backbone interact. energy: -0.275
local terms energy: -280.643401
where:
bonds (distance) C4'-P energy: -48.258
bonds (distance) P-C4' energy: -54.076
flat angles C4'-P-C4' energy: -59.091
flat angles P-C4'-P energy: -39.127
tors. eta vs tors. theta energy: -80.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -943.342783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.342783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.342783 (E_RNA)
where:
Base-Base interactions energy: -662.715
where: short stacking energy: -268.955
Base-Backbone interact. energy: -1.085
local terms energy: -279.542770
where:
bonds (distance) C4'-P energy: -46.946
bonds (distance) P-C4' energy: -56.384
flat angles C4'-P-C4' energy: -56.831
flat angles P-C4'-P energy: -40.021
tors. eta vs tors. theta energy: -79.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -867.417508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.417508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.417508 (E_RNA)
where:
Base-Base interactions energy: -605.382
where: short stacking energy: -256.183
Base-Backbone interact. energy: -0.981
local terms energy: -261.054690
where:
bonds (distance) C4'-P energy: -56.175
bonds (distance) P-C4' energy: -36.784
flat angles C4'-P-C4' energy: -60.913
flat angles P-C4'-P energy: -35.987
tors. eta vs tors. theta energy: -71.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -828.640546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.640546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.640546 (E_RNA)
where:
Base-Base interactions energy: -582.094
where: short stacking energy: -236.850
Base-Backbone interact. energy: -2.148
local terms energy: -244.398871
where:
bonds (distance) C4'-P energy: -49.779
bonds (distance) P-C4' energy: -51.800
flat angles C4'-P-C4' energy: -42.196
flat angles P-C4'-P energy: -35.592
tors. eta vs tors. theta energy: -65.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -829.921485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.921485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.921485 (E_RNA)
where:
Base-Base interactions energy: -567.450
where: short stacking energy: -233.209
Base-Backbone interact. energy: -0.990
local terms energy: -261.481334
where:
bonds (distance) C4'-P energy: -46.434
bonds (distance) P-C4' energy: -52.295
flat angles C4'-P-C4' energy: -56.524
flat angles P-C4'-P energy: -40.499
tors. eta vs tors. theta energy: -65.729
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: 4
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -768.038657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.038657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.038657 (E_RNA)
where:
Base-Base interactions energy: -518.662
where: short stacking energy: -214.615
Base-Backbone interact. energy: -1.388
local terms energy: -247.988854
where:
bonds (distance) C4'-P energy: -45.103
bonds (distance) P-C4' energy: -49.090
flat angles C4'-P-C4' energy: -58.764
flat angles P-C4'-P energy: -32.079
tors. eta vs tors. theta energy: -62.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -766.425021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.425021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.425021 (E_RNA)
where:
Base-Base interactions energy: -533.260
where: short stacking energy: -232.690
Base-Backbone interact. energy: -0.169
local terms energy: -232.996389
where:
bonds (distance) C4'-P energy: -39.240
bonds (distance) P-C4' energy: -47.022
flat angles C4'-P-C4' energy: -48.504
flat angles P-C4'-P energy: -37.904
tors. eta vs tors. theta energy: -60.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -729.379053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.379053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.379053 (E_RNA)
where:
Base-Base interactions energy: -514.675
where: short stacking energy: -196.504
Base-Backbone interact. energy: -0.937
local terms energy: -213.767176
where:
bonds (distance) C4'-P energy: -39.325
bonds (distance) P-C4' energy: -45.357
flat angles C4'-P-C4' energy: -43.868
flat angles P-C4'-P energy: -28.422
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: 9, replica: 9
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -465.759495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.759495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.759495 (E_RNA)
where:
Base-Base interactions energy: -282.390
where: short stacking energy: -134.828
Base-Backbone interact. energy: 0.502
local terms energy: -183.872432
where:
bonds (distance) C4'-P energy: -31.121
bonds (distance) P-C4' energy: -57.484
flat angles C4'-P-C4' energy: -44.280
flat angles P-C4'-P energy: -35.181
tors. eta vs tors. theta energy: -15.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -231.282044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.282044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.282044 (E_RNA)
where:
Base-Base interactions energy: -77.378
where: short stacking energy: -59.685
Base-Backbone interact. energy: -0.481
local terms energy: -153.423858
where:
bonds (distance) C4'-P energy: -52.696
bonds (distance) P-C4' energy: -39.868
flat angles C4'-P-C4' energy: -41.937
flat angles P-C4'-P energy: -22.611
tors. eta vs tors. theta energy: 3.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -952.620150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.620150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.620150 (E_RNA)
where:
Base-Base interactions energy: -662.897
where: short stacking energy: -286.797
Base-Backbone interact. energy: -1.446
local terms energy: -288.277923
where:
bonds (distance) C4'-P energy: -46.215
bonds (distance) P-C4' energy: -57.148
flat angles C4'-P-C4' energy: -58.808
flat angles P-C4'-P energy: -41.974
tors. eta vs tors. theta energy: -84.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -890.699256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.699256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.699256 (E_RNA)
where:
Base-Base interactions energy: -604.592
where: short stacking energy: -268.187
Base-Backbone interact. energy: -1.249
local terms energy: -284.858944
where:
bonds (distance) C4'-P energy: -49.502
bonds (distance) P-C4' energy: -55.265
flat angles C4'-P-C4' energy: -59.052
flat angles P-C4'-P energy: -38.208
tors. eta vs tors. theta energy: -82.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -862.145645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.145645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.145645 (E_RNA)
where:
Base-Base interactions energy: -599.846
where: short stacking energy: -239.950
Base-Backbone interact. energy: -1.251
local terms energy: -261.048507
where:
bonds (distance) C4'-P energy: -38.931
bonds (distance) P-C4' energy: -50.905
flat angles C4'-P-C4' energy: -56.881
flat angles P-C4'-P energy: -43.136
tors. eta vs tors. theta energy: -71.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -848.140568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.140568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.140568 (E_RNA)
where:
Base-Base interactions energy: -579.250
where: short stacking energy: -234.957
Base-Backbone interact. energy: -0.814
local terms energy: -268.076479
where:
bonds (distance) C4'-P energy: -50.117
bonds (distance) P-C4' energy: -51.430
flat angles C4'-P-C4' energy: -58.876
flat angles P-C4'-P energy: -36.933
tors. eta vs tors. theta energy: -70.721
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: 5
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -823.687183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.687183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.687183 (E_RNA)
where:
Base-Base interactions energy: -562.817
where: short stacking energy: -230.092
Base-Backbone interact. energy: 1.034
local terms energy: -261.904624
where:
bonds (distance) C4'-P energy: -44.423
bonds (distance) P-C4' energy: -59.333
flat angles C4'-P-C4' energy: -54.566
flat angles P-C4'-P energy: -38.080
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: 4
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -754.378253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.378253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.378253 (E_RNA)
where:
Base-Base interactions energy: -532.912
where: short stacking energy: -214.423
Base-Backbone interact. energy: -0.199
local terms energy: -221.267132
where:
bonds (distance) C4'-P energy: -33.513
bonds (distance) P-C4' energy: -47.102
flat angles C4'-P-C4' energy: -54.375
flat angles P-C4'-P energy: -39.304
tors. eta vs tors. theta energy: -46.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -779.648560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.648560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.648560 (E_RNA)
where:
Base-Base interactions energy: -527.600
where: short stacking energy: -234.515
Base-Backbone interact. energy: -0.262
local terms energy: -251.786258
where:
bonds (distance) C4'-P energy: -40.709
bonds (distance) P-C4' energy: -51.369
flat angles C4'-P-C4' energy: -51.581
flat angles P-C4'-P energy: -33.770
tors. eta vs tors. theta energy: -74.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -674.349365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.349365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.349365 (E_RNA)
where:
Base-Base interactions energy: -456.758
where: short stacking energy: -176.344
Base-Backbone interact. energy: -0.540
local terms energy: -217.051127
where:
bonds (distance) C4'-P energy: -28.107
bonds (distance) P-C4' energy: -54.753
flat angles C4'-P-C4' energy: -53.936
flat angles P-C4'-P energy: -35.726
tors. eta vs tors. theta energy: -44.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -454.630127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.630127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.630127 (E_RNA)
where:
Base-Base interactions energy: -266.317
where: short stacking energy: -120.614
Base-Backbone interact. energy: -1.062
local terms energy: -187.250615
where:
bonds (distance) C4'-P energy: -39.450
bonds (distance) P-C4' energy: -49.997
flat angles C4'-P-C4' energy: -48.904
flat angles P-C4'-P energy: -28.943
tors. eta vs tors. theta energy: -19.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -261.616722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.616722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.616722 (E_RNA)
where:
Base-Base interactions energy: -123.201
where: short stacking energy: -69.908
Base-Backbone interact. energy: 5.108
local terms energy: -143.523822
where:
bonds (distance) C4'-P energy: -45.384
bonds (distance) P-C4' energy: -37.650
flat angles C4'-P-C4' energy: -35.670
flat angles P-C4'-P energy: -30.654
tors. eta vs tors. theta energy: 5.835
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: 8
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -945.272405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.272405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.272405 (E_RNA)
where:
Base-Base interactions energy: -651.570
where: short stacking energy: -276.636
Base-Backbone interact. energy: -1.305
local terms energy: -292.397317
where:
bonds (distance) C4'-P energy: -53.162
bonds (distance) P-C4' energy: -52.710
flat angles C4'-P-C4' energy: -59.426
flat angles P-C4'-P energy: -42.996
tors. eta vs tors. theta energy: -84.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -877.139758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.139758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.139758 (E_RNA)
where:
Base-Base interactions energy: -586.946
where: short stacking energy: -267.158
Base-Backbone interact. energy: -0.528
local terms energy: -289.665930
where:
bonds (distance) C4'-P energy: -57.081
bonds (distance) P-C4' energy: -55.926
flat angles C4'-P-C4' energy: -56.725
flat angles P-C4'-P energy: -39.223
tors. eta vs tors. theta energy: -80.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -854.644898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.644898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.644898 (E_RNA)
where:
Base-Base interactions energy: -594.909
where: short stacking energy: -231.810
Base-Backbone interact. energy: -0.649
local terms energy: -259.086614
where:
bonds (distance) C4'-P energy: -50.225
bonds (distance) P-C4' energy: -47.906
flat angles C4'-P-C4' energy: -59.763
flat angles P-C4'-P energy: -38.393
tors. eta vs tors. theta energy: -62.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -852.756863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.756863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.756863 (E_RNA)
where:
Base-Base interactions energy: -585.097
where: short stacking energy: -258.628
Base-Backbone interact. energy: -1.073
local terms energy: -266.586805
where:
bonds (distance) C4'-P energy: -48.607
bonds (distance) P-C4' energy: -51.916
flat angles C4'-P-C4' energy: -53.599
flat angles P-C4'-P energy: -41.093
tors. eta vs tors. theta energy: -71.372
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: 2
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -831.520443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.520443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.520443 (E_RNA)
where:
Base-Base interactions energy: -565.888
where: short stacking energy: -236.600
Base-Backbone interact. energy: -0.894
local terms energy: -264.738720
where:
bonds (distance) C4'-P energy: -54.716
bonds (distance) P-C4' energy: -42.587
flat angles C4'-P-C4' energy: -57.660
flat angles P-C4'-P energy: -39.207
tors. eta vs tors. theta energy: -70.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -751.610792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.610792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.610792 (E_RNA)
where:
Base-Base interactions energy: -505.339
where: short stacking energy: -213.367
Base-Backbone interact. energy: 0.326
local terms energy: -246.597801
where:
bonds (distance) C4'-P energy: -50.885
bonds (distance) P-C4' energy: -38.997
flat angles C4'-P-C4' energy: -55.480
flat angles P-C4'-P energy: -41.595
tors. eta vs tors. theta energy: -59.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -731.374676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.374676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.374676 (E_RNA)
where:
Base-Base interactions energy: -518.677
where: short stacking energy: -201.852
Base-Backbone interact. energy: 3.575
local terms energy: -216.273298
where:
bonds (distance) C4'-P energy: -30.135
bonds (distance) P-C4' energy: -47.436
flat angles C4'-P-C4' energy: -50.074
flat angles P-C4'-P energy: -36.565
tors. eta vs tors. theta energy: -52.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -682.542418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.542418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.542418 (E_RNA)
where:
Base-Base interactions energy: -477.657
where: short stacking energy: -206.166
Base-Backbone interact. energy: -0.789
local terms energy: -204.096760
where:
bonds (distance) C4'-P energy: -41.080
bonds (distance) P-C4' energy: -46.260
flat angles C4'-P-C4' energy: -45.920
flat angles P-C4'-P energy: -31.410
tors. eta vs tors. theta energy: -39.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -451.757007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.757007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.757007 (E_RNA)
where:
Base-Base interactions energy: -264.338
where: short stacking energy: -125.576
Base-Backbone interact. energy: -0.351
local terms energy: -187.067678
where:
bonds (distance) C4'-P energy: -40.704
bonds (distance) P-C4' energy: -51.801
flat angles C4'-P-C4' energy: -43.478
flat angles P-C4'-P energy: -31.181
tors. eta vs tors. theta energy: -19.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -252.056681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.056681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.056681 (E_RNA)
where:
Base-Base interactions energy: -116.699
where: short stacking energy: -77.573
Base-Backbone interact. energy: -1.309
local terms energy: -134.048810
where:
bonds (distance) C4'-P energy: -47.063
bonds (distance) P-C4' energy: -35.984
flat angles C4'-P-C4' energy: -30.235
flat angles P-C4'-P energy: -18.098
tors. eta vs tors. theta energy: -2.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -944.184008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.184008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.184008 (E_RNA)
where:
Base-Base interactions energy: -655.792
where: short stacking energy: -275.938
Base-Backbone interact. energy: -0.080
local terms energy: -288.312608
where:
bonds (distance) C4'-P energy: -55.796
bonds (distance) P-C4' energy: -57.516
flat angles C4'-P-C4' energy: -56.366
flat angles P-C4'-P energy: -35.364
tors. eta vs tors. theta energy: -83.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -869.374000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.374000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.374000 (E_RNA)
where:
Base-Base interactions energy: -594.337
where: short stacking energy: -258.890
Base-Backbone interact. energy: -0.706
local terms energy: -274.331031
where:
bonds (distance) C4'-P energy: -43.203
bonds (distance) P-C4' energy: -54.593
flat angles C4'-P-C4' energy: -58.804
flat angles P-C4'-P energy: -36.884
tors. eta vs tors. theta energy: -80.847
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: 5
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -868.879135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.879135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.879135 (E_RNA)
where:
Base-Base interactions energy: -605.526
where: short stacking energy: -259.855
Base-Backbone interact. energy: -0.820
local terms energy: -262.533212
where:
bonds (distance) C4'-P energy: -42.932
bonds (distance) P-C4' energy: -56.399
flat angles C4'-P-C4' energy: -56.362
flat angles P-C4'-P energy: -36.481
tors. eta vs tors. theta energy: -70.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -820.697380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.697380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.697380 (E_RNA)
where:
Base-Base interactions energy: -563.917
where: short stacking energy: -217.492
Base-Backbone interact. energy: -0.476
local terms energy: -256.304967
where:
bonds (distance) C4'-P energy: -44.372
bonds (distance) P-C4' energy: -56.476
flat angles C4'-P-C4' energy: -56.254
flat angles P-C4'-P energy: -36.578
tors. eta vs tors. theta energy: -62.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -834.814472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.814472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.814472 (E_RNA)
where:
Base-Base interactions energy: -583.219
where: short stacking energy: -240.613
Base-Backbone interact. energy: -1.280
local terms energy: -250.314900
where:
bonds (distance) C4'-P energy: -45.505
bonds (distance) P-C4' energy: -53.181
flat angles C4'-P-C4' energy: -50.465
flat angles P-C4'-P energy: -32.610
tors. eta vs tors. theta energy: -68.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -760.541076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.541076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.541076 (E_RNA)
where:
Base-Base interactions energy: -500.698
where: short stacking energy: -219.226
Base-Backbone interact. energy: -0.450
local terms energy: -259.393081
where:
bonds (distance) C4'-P energy: -48.882
bonds (distance) P-C4' energy: -51.923
flat angles C4'-P-C4' energy: -58.129
flat angles P-C4'-P energy: -40.421
tors. eta vs tors. theta energy: -60.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -738.660641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.660641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.660641 (E_RNA)
where:
Base-Base interactions energy: -506.323
where: short stacking energy: -221.427
Base-Backbone interact. energy: -0.917
local terms energy: -231.420008
where:
bonds (distance) C4'-P energy: -32.451
bonds (distance) P-C4' energy: -56.002
flat angles C4'-P-C4' energy: -49.751
flat angles P-C4'-P energy: -38.293
tors. eta vs tors. theta energy: -54.923
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: 10
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -707.585687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.585687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.585687 (E_RNA)
where:
Base-Base interactions energy: -476.013
where: short stacking energy: -199.980
Base-Backbone interact. energy: -0.148
local terms energy: -231.424593
where:
bonds (distance) C4'-P energy: -43.510
bonds (distance) P-C4' energy: -49.574
flat angles C4'-P-C4' energy: -59.501
flat angles P-C4'-P energy: -29.684
tors. eta vs tors. theta energy: -49.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -478.698230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.698230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.698230 (E_RNA)
where:
Base-Base interactions energy: -296.461
where: short stacking energy: -137.679
Base-Backbone interact. energy: 3.111
local terms energy: -185.348424
where:
bonds (distance) C4'-P energy: -47.605
bonds (distance) P-C4' energy: -47.620
flat angles C4'-P-C4' energy: -42.046
flat angles P-C4'-P energy: -19.897
tors. eta vs tors. theta energy: -28.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -233.154880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.154880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.154880 (E_RNA)
where:
Base-Base interactions energy: -75.403
where: short stacking energy: -70.364
Base-Backbone interact. energy: -0.411
local terms energy: -157.340914
where:
bonds (distance) C4'-P energy: -50.269
bonds (distance) P-C4' energy: -50.213
flat angles C4'-P-C4' energy: -27.208
flat angles P-C4'-P energy: -22.822
tors. eta vs tors. theta energy: -6.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -953.442501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.442501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.442501 (E_RNA)
where:
Base-Base interactions energy: -663.413
where: short stacking energy: -268.656
Base-Backbone interact. energy: -1.148
local terms energy: -288.881839
where:
bonds (distance) C4'-P energy: -60.117
bonds (distance) P-C4' energy: -51.612
flat angles C4'-P-C4' energy: -58.896
flat angles P-C4'-P energy: -34.188
tors. eta vs tors. theta energy: -84.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -867.218814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.218814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.218814 (E_RNA)
where:
Base-Base interactions energy: -600.122
where: short stacking energy: -274.166
Base-Backbone interact. energy: -0.524
local terms energy: -266.572924
where:
bonds (distance) C4'-P energy: -49.756
bonds (distance) P-C4' energy: -43.381
flat angles C4'-P-C4' energy: -53.615
flat angles P-C4'-P energy: -38.965
tors. eta vs tors. theta energy: -80.856
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: 5
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -869.468270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.468270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.468270 (E_RNA)
where:
Base-Base interactions energy: -599.439
where: short stacking energy: -255.253
Base-Backbone interact. energy: 6.331
local terms energy: -276.360435
where:
bonds (distance) C4'-P energy: -46.559
bonds (distance) P-C4' energy: -57.216
flat angles C4'-P-C4' energy: -54.042
flat angles P-C4'-P energy: -42.391
tors. eta vs tors. theta energy: -76.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -837.930986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.930986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.930986 (E_RNA)
where:
Base-Base interactions energy: -573.501
where: short stacking energy: -239.602
Base-Backbone interact. energy: -1.582
local terms energy: -262.847590
where:
bonds (distance) C4'-P energy: -58.751
bonds (distance) P-C4' energy: -56.143
flat angles C4'-P-C4' energy: -53.834
flat angles P-C4'-P energy: -29.594
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: 5, replica: 2
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -820.568796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.568796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.568796 (E_RNA)
where:
Base-Base interactions energy: -579.035
where: short stacking energy: -243.305
Base-Backbone interact. energy: -0.020
local terms energy: -241.513508
where:
bonds (distance) C4'-P energy: -41.601
bonds (distance) P-C4' energy: -54.282
flat angles C4'-P-C4' energy: -55.022
flat angles P-C4'-P energy: -23.484
tors. eta vs tors. theta energy: -67.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -727.966630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.966630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.966630 (E_RNA)
where:
Base-Base interactions energy: -493.497
where: short stacking energy: -208.107
Base-Backbone interact. energy: -1.151
local terms energy: -233.318875
where:
bonds (distance) C4'-P energy: -40.726
bonds (distance) P-C4' energy: -50.614
flat angles C4'-P-C4' energy: -48.205
flat angles P-C4'-P energy: -37.744
tors. eta vs tors. theta energy: -56.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -729.183825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.183825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.183825 (E_RNA)
where:
Base-Base interactions energy: -498.752
where: short stacking energy: -197.300
Base-Backbone interact. energy: -0.411
local terms energy: -230.021155
where:
bonds (distance) C4'-P energy: -44.877
bonds (distance) P-C4' energy: -44.691
flat angles C4'-P-C4' energy: -48.952
flat angles P-C4'-P energy: -30.143
tors. eta vs tors. theta energy: -61.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -695.999800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.999800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.999800 (E_RNA)
where:
Base-Base interactions energy: -475.570
where: short stacking energy: -211.280
Base-Backbone interact. energy: -2.944
local terms energy: -217.486236
where:
bonds (distance) C4'-P energy: -30.769
bonds (distance) P-C4' energy: -44.911
flat angles C4'-P-C4' energy: -51.758
flat angles P-C4'-P energy: -28.618
tors. eta vs tors. theta energy: -61.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -513.376010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.376010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.376010 (E_RNA)
where:
Base-Base interactions energy: -335.988
where: short stacking energy: -157.227
Base-Backbone interact. energy: -0.492
local terms energy: -176.896268
where:
bonds (distance) C4'-P energy: -33.202
bonds (distance) P-C4' energy: -29.212
flat angles C4'-P-C4' energy: -44.710
flat angles P-C4'-P energy: -31.028
tors. eta vs tors. theta energy: -38.744
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: 6
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -232.697426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.697426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.697426 (E_RNA)
where:
Base-Base interactions energy: -79.020
where: short stacking energy: -73.623
Base-Backbone interact. energy: -0.496
local terms energy: -153.181871
where:
bonds (distance) C4'-P energy: -46.026
bonds (distance) P-C4' energy: -45.755
flat angles C4'-P-C4' energy: -44.527
flat angles P-C4'-P energy: -16.204
tors. eta vs tors. theta energy: -0.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -954.704781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.704781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.704781 (E_RNA)
where:
Base-Base interactions energy: -669.962
where: short stacking energy: -277.902
Base-Backbone interact. energy: -0.031
local terms energy: -284.711985
where:
bonds (distance) C4'-P energy: -49.878
bonds (distance) P-C4' energy: -54.113
flat angles C4'-P-C4' energy: -58.986
flat angles P-C4'-P energy: -42.240
tors. eta vs tors. theta energy: -79.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -866.335437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.335437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.335437 (E_RNA)
where:
Base-Base interactions energy: -596.553
where: short stacking energy: -257.583
Base-Backbone interact. energy: -1.670
local terms energy: -268.112759
where:
bonds (distance) C4'-P energy: -45.821
bonds (distance) P-C4' energy: -54.219
flat angles C4'-P-C4' energy: -58.894
flat angles P-C4'-P energy: -35.103
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: 138
Temperature: 1.000000
Total energy: -872.737691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.737691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.737691 (E_RNA)
where:
Base-Base interactions energy: -597.039
where: short stacking energy: -256.304
Base-Backbone interact. energy: -0.796
local terms energy: -274.901970
where:
bonds (distance) C4'-P energy: -52.339
bonds (distance) P-C4' energy: -52.166
flat angles C4'-P-C4' energy: -58.771
flat angles P-C4'-P energy: -36.103
tors. eta vs tors. theta energy: -75.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -860.148098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.148098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.148098 (E_RNA)
where:
Base-Base interactions energy: -597.355
where: short stacking energy: -275.535
Base-Backbone interact. energy: -0.541
local terms energy: -262.252029
where:
bonds (distance) C4'-P energy: -41.006
bonds (distance) P-C4' energy: -51.220
flat angles C4'-P-C4' energy: -53.555
flat angles P-C4'-P energy: -40.101
tors. eta vs tors. theta energy: -76.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -826.332040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.332040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.332040 (E_RNA)
where:
Base-Base interactions energy: -563.611
where: short stacking energy: -214.675
Base-Backbone interact. energy: -0.201
local terms energy: -262.519283
where:
bonds (distance) C4'-P energy: -52.703
bonds (distance) P-C4' energy: -47.161
flat angles C4'-P-C4' energy: -62.771
flat angles P-C4'-P energy: -38.731
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: 4
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -739.002576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.002576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.002576 (E_RNA)
where:
Base-Base interactions energy: -525.146
where: short stacking energy: -201.301
Base-Backbone interact. energy: 1.651
local terms energy: -215.507910
where:
bonds (distance) C4'-P energy: -48.406
bonds (distance) P-C4' energy: -42.552
flat angles C4'-P-C4' energy: -49.396
flat angles P-C4'-P energy: -27.724
tors. eta vs tors. theta energy: -47.431
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: 10
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -748.085731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.085731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.085731 (E_RNA)
where:
Base-Base interactions energy: -514.460
where: short stacking energy: -211.692
Base-Backbone interact. energy: 0.283
local terms energy: -233.908255
where:
bonds (distance) C4'-P energy: -36.626
bonds (distance) P-C4' energy: -43.553
flat angles C4'-P-C4' energy: -55.910
flat angles P-C4'-P energy: -35.568
tors. eta vs tors. theta energy: -62.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -726.837028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.837028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.837028 (E_RNA)
where:
Base-Base interactions energy: -488.309
where: short stacking energy: -200.139
Base-Backbone interact. energy: -0.920
local terms energy: -237.608191
where:
bonds (distance) C4'-P energy: -47.114
bonds (distance) P-C4' energy: -55.246
flat angles C4'-P-C4' energy: -46.959
flat angles P-C4'-P energy: -35.874
tors. eta vs tors. theta energy: -52.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -478.502229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.502229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.502229 (E_RNA)
where:
Base-Base interactions energy: -299.170
where: short stacking energy: -137.633
Base-Backbone interact. energy: 0.273
local terms energy: -179.604774
where:
bonds (distance) C4'-P energy: -39.737
bonds (distance) P-C4' energy: -46.674
flat angles C4'-P-C4' energy: -34.912
flat angles P-C4'-P energy: -29.076
tors. eta vs tors. theta energy: -29.206
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: 6
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -219.841758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.841758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.841758 (E_RNA)
where:
Base-Base interactions energy: -63.394
where: short stacking energy: -56.254
Base-Backbone interact. energy: -1.269
local terms energy: -155.178086
where:
bonds (distance) C4'-P energy: -44.962
bonds (distance) P-C4' energy: -40.760
flat angles C4'-P-C4' energy: -44.565
flat angles P-C4'-P energy: -26.904
tors. eta vs tors. theta energy: 2.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -942.521752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.521752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.521752 (E_RNA)
where:
Base-Base interactions energy: -649.969
where: short stacking energy: -266.856
Base-Backbone interact. energy: -1.340
local terms energy: -291.212585
where:
bonds (distance) C4'-P energy: -56.719
bonds (distance) P-C4' energy: -54.886
flat angles C4'-P-C4' energy: -60.054
flat angles P-C4'-P energy: -41.341
tors. eta vs tors. theta energy: -78.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -867.094191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.094191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.094191 (E_RNA)
where:
Base-Base interactions energy: -594.414
where: short stacking energy: -247.256
Base-Backbone interact. energy: -0.856
local terms energy: -271.823915
where:
bonds (distance) C4'-P energy: -43.992
bonds (distance) P-C4' energy: -52.063
flat angles C4'-P-C4' energy: -57.400
flat angles P-C4'-P energy: -48.449
tors. eta vs tors. theta energy: -69.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -855.897360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.897360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.897360 (E_RNA)
where:
Base-Base interactions energy: -587.546
where: short stacking energy: -263.979
Base-Backbone interact. energy: -0.758
local terms energy: -267.592672
where:
bonds (distance) C4'-P energy: -47.560
bonds (distance) P-C4' energy: -53.624
flat angles C4'-P-C4' energy: -59.245
flat angles P-C4'-P energy: -37.131
tors. eta vs tors. theta energy: -70.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -844.280530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.280530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.280530 (E_RNA)
where:
Base-Base interactions energy: -590.825
where: short stacking energy: -228.394
Base-Backbone interact. energy: -1.781
local terms energy: -251.674850
where:
bonds (distance) C4'-P energy: -48.221
bonds (distance) P-C4' energy: -44.984
flat angles C4'-P-C4' energy: -58.153
flat angles P-C4'-P energy: -37.648
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: 5, replica: 7
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -808.578708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.578708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.578708 (E_RNA)
where:
Base-Base interactions energy: -554.138
where: short stacking energy: -233.892
Base-Backbone interact. energy: -0.673
local terms energy: -253.766919
where:
bonds (distance) C4'-P energy: -48.981
bonds (distance) P-C4' energy: -47.111
flat angles C4'-P-C4' energy: -53.726
flat angles P-C4'-P energy: -40.602
tors. eta vs tors. theta energy: -63.348
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: 139
Temperature: 1.150000
Total energy: -765.551582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.551582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.551582 (E_RNA)
where:
Base-Base interactions energy: -526.135
where: short stacking energy: -230.485
Base-Backbone interact. energy: -1.426
local terms energy: -237.990141
where:
bonds (distance) C4'-P energy: -47.181
bonds (distance) P-C4' energy: -41.755
flat angles C4'-P-C4' energy: -59.512
flat angles P-C4'-P energy: -28.588
tors. eta vs tors. theta energy: -60.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -719.267308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.267308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.267308 (E_RNA)
where:
Base-Base interactions energy: -509.993
where: short stacking energy: -194.099
Base-Backbone interact. energy: 1.746
local terms energy: -211.019715
where:
bonds (distance) C4'-P energy: -40.966
bonds (distance) P-C4' energy: -44.843
flat angles C4'-P-C4' energy: -43.737
flat angles P-C4'-P energy: -31.819
tors. eta vs tors. theta energy: -49.654
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: 8, replica: 3
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -696.480339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.480339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.480339 (E_RNA)
where:
Base-Base interactions energy: -474.005
where: short stacking energy: -198.989
Base-Backbone interact. energy: -0.672
local terms energy: -221.803728
where:
bonds (distance) C4'-P energy: -46.211
bonds (distance) P-C4' energy: -42.662
flat angles C4'-P-C4' energy: -56.800
flat angles P-C4'-P energy: -28.538
tors. eta vs tors. theta energy: -47.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -506.086252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.086252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.086252 (E_RNA)
where:
Base-Base interactions energy: -336.035
where: short stacking energy: -154.918
Base-Backbone interact. energy: -0.263
local terms energy: -169.788569
where:
bonds (distance) C4'-P energy: -37.333
bonds (distance) P-C4' energy: -30.275
flat angles C4'-P-C4' energy: -32.330
flat angles P-C4'-P energy: -34.734
tors. eta vs tors. theta energy: -35.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -223.201256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.201256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.201256 (E_RNA)
where:
Base-Base interactions energy: -87.741
where: short stacking energy: -60.586
Base-Backbone interact. energy: -0.770
local terms energy: -134.689981
where:
bonds (distance) C4'-P energy: -42.019
bonds (distance) P-C4' energy: -47.277
flat angles C4'-P-C4' energy: -32.882
flat angles P-C4'-P energy: -19.438
tors. eta vs tors. theta energy: 6.925
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: 8
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -951.553070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.553070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.553070 (E_RNA)
where:
Base-Base interactions energy: -657.827
where: short stacking energy: -270.854
Base-Backbone interact. energy: -0.350
local terms energy: -293.375676
where:
bonds (distance) C4'-P energy: -51.398
bonds (distance) P-C4' energy: -54.290
flat angles C4'-P-C4' energy: -58.345
flat angles P-C4'-P energy: -41.859
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: 5
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -865.218548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.218548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.218548 (E_RNA)
where:
Base-Base interactions energy: -599.260
where: short stacking energy: -259.184
Base-Backbone interact. energy: 1.178
local terms energy: -267.136394
where:
bonds (distance) C4'-P energy: -53.454
bonds (distance) P-C4' energy: -41.255
flat angles C4'-P-C4' energy: -58.097
flat angles P-C4'-P energy: -40.196
tors. eta vs tors. theta energy: -74.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -865.175118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.175118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.175118 (E_RNA)
where:
Base-Base interactions energy: -592.371
where: short stacking energy: -265.042
Base-Backbone interact. energy: -0.495
local terms energy: -272.309304
where:
bonds (distance) C4'-P energy: -42.120
bonds (distance) P-C4' energy: -48.178
flat angles C4'-P-C4' energy: -57.985
flat angles P-C4'-P energy: -46.899
tors. eta vs tors. theta energy: -77.126
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: 2
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -828.969753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.969753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.969753 (E_RNA)
where:
Base-Base interactions energy: -570.919
where: short stacking energy: -233.930
Base-Backbone interact. energy: -2.093
local terms energy: -255.957581
where:
bonds (distance) C4'-P energy: -48.991
bonds (distance) P-C4' energy: -48.000
flat angles C4'-P-C4' energy: -52.866
flat angles P-C4'-P energy: -38.769
tors. eta vs tors. theta energy: -67.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -823.359857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.359857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.359857 (E_RNA)
where:
Base-Base interactions energy: -575.701
where: short stacking energy: -241.287
Base-Backbone interact. energy: 2.814
local terms energy: -250.472689
where:
bonds (distance) C4'-P energy: -53.159
bonds (distance) P-C4' energy: -47.826
flat angles C4'-P-C4' energy: -52.155
flat angles P-C4'-P energy: -24.542
tors. eta vs tors. theta energy: -72.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -758.416945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.416945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.416945 (E_RNA)
where:
Base-Base interactions energy: -537.448
where: short stacking energy: -212.465
Base-Backbone interact. energy: -1.793
local terms energy: -219.176034
where:
bonds (distance) C4'-P energy: -40.456
bonds (distance) P-C4' energy: -42.792
flat angles C4'-P-C4' energy: -44.459
flat angles P-C4'-P energy: -34.572
tors. eta vs tors. theta energy: -56.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -720.901574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.901574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.901574 (E_RNA)
where:
Base-Base interactions energy: -482.911
where: short stacking energy: -210.599
Base-Backbone interact. energy: -1.316
local terms energy: -236.674206
where:
bonds (distance) C4'-P energy: -47.775
bonds (distance) P-C4' energy: -47.451
flat angles C4'-P-C4' energy: -57.286
flat angles P-C4'-P energy: -29.691
tors. eta vs tors. theta energy: -54.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -691.729805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.729805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.729805 (E_RNA)
where:
Base-Base interactions energy: -483.751
where: short stacking energy: -211.012
Base-Backbone interact. energy: -0.212
local terms energy: -207.767009
where:
bonds (distance) C4'-P energy: -40.516
bonds (distance) P-C4' energy: -41.658
flat angles C4'-P-C4' energy: -43.215
flat angles P-C4'-P energy: -21.492
tors. eta vs tors. theta energy: -60.886
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: 140
Temperature: 1.300000
Total energy: -523.821421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.821421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.821421 (E_RNA)
where:
Base-Base interactions energy: -342.615
where: short stacking energy: -157.838
Base-Backbone interact. energy: -0.423
local terms energy: -180.783402
where:
bonds (distance) C4'-P energy: -41.877
bonds (distance) P-C4' energy: -41.644
flat angles C4'-P-C4' energy: -38.481
flat angles P-C4'-P energy: -19.514
tors. eta vs tors. theta energy: -39.268
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: 6
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -238.864919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.864919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.864919 (E_RNA)
where:
Base-Base interactions energy: -78.253
where: short stacking energy: -64.811
Base-Backbone interact. energy: 0.066
local terms energy: -160.677910
where:
bonds (distance) C4'-P energy: -37.551
bonds (distance) P-C4' energy: -46.916
flat angles C4'-P-C4' energy: -40.266
flat angles P-C4'-P energy: -34.120
tors. eta vs tors. theta energy: -1.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -933.578140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.578140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.578140 (E_RNA)
where:
Base-Base interactions energy: -653.281
where: short stacking energy: -270.606
Base-Backbone interact. energy: -0.406
local terms energy: -279.891070
where:
bonds (distance) C4'-P energy: -51.169
bonds (distance) P-C4' energy: -51.651
flat angles C4'-P-C4' energy: -58.854
flat angles P-C4'-P energy: -40.523
tors. eta vs tors. theta energy: -77.695
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: 1
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -891.847219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.847219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.847219 (E_RNA)
where:
Base-Base interactions energy: -604.215
where: short stacking energy: -282.908
Base-Backbone interact. energy: -0.077
local terms energy: -287.554333
where:
bonds (distance) C4'-P energy: -44.987
bonds (distance) P-C4' energy: -50.355
flat angles C4'-P-C4' energy: -63.167
flat angles P-C4'-P energy: -45.047
tors. eta vs tors. theta energy: -83.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -895.898498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.898498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.898498 (E_RNA)
where:
Base-Base interactions energy: -626.129
where: short stacking energy: -288.278
Base-Backbone interact. energy: -1.289
local terms energy: -268.480268
where:
bonds (distance) C4'-P energy: -42.604
bonds (distance) P-C4' energy: -50.781
flat angles C4'-P-C4' energy: -48.447
flat angles P-C4'-P energy: -44.908
tors. eta vs tors. theta energy: -81.740
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: 4, replica: 2
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -828.955812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.955812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.955812 (E_RNA)
where:
Base-Base interactions energy: -573.590
where: short stacking energy: -230.650
Base-Backbone interact. energy: -0.766
local terms energy: -254.599951
where:
bonds (distance) C4'-P energy: -43.796
bonds (distance) P-C4' energy: -52.026
flat angles C4'-P-C4' energy: -57.123
flat angles P-C4'-P energy: -40.596
tors. eta vs tors. theta energy: -61.059
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: 7
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -792.995549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.995549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.995549 (E_RNA)
where:
Base-Base interactions energy: -569.218
where: short stacking energy: -228.976
Base-Backbone interact. energy: -0.658
local terms energy: -223.119820
where:
bonds (distance) C4'-P energy: -31.384
bonds (distance) P-C4' energy: -48.919
flat angles C4'-P-C4' energy: -52.977
flat angles P-C4'-P energy: -33.616
tors. eta vs tors. theta energy: -56.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -754.270579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.270579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.270579 (E_RNA)
where:
Base-Base interactions energy: -523.521
where: short stacking energy: -212.587
Base-Backbone interact. energy: -0.807
local terms energy: -229.943068
where:
bonds (distance) C4'-P energy: -41.112
bonds (distance) P-C4' energy: -44.220
flat angles C4'-P-C4' energy: -49.424
flat angles P-C4'-P energy: -30.789
tors. eta vs tors. theta energy: -64.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -673.792633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.792633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.792633 (E_RNA)
where:
Base-Base interactions energy: -445.686
where: short stacking energy: -191.044
Base-Backbone interact. energy: 0.452
local terms energy: -228.558237
where:
bonds (distance) C4'-P energy: -48.670
bonds (distance) P-C4' energy: -45.616
flat angles C4'-P-C4' energy: -49.087
flat angles P-C4'-P energy: -30.183
tors. eta vs tors. theta energy: -55.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -700.228271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.228271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.228271 (E_RNA)
where:
Base-Base interactions energy: -474.312
where: short stacking energy: -195.857
Base-Backbone interact. energy: -1.003
local terms energy: -224.913360
where:
bonds (distance) C4'-P energy: -49.201
bonds (distance) P-C4' energy: -41.741
flat angles C4'-P-C4' energy: -51.522
flat angles P-C4'-P energy: -30.870
tors. eta vs tors. theta energy: -51.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -491.080913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.080913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.080913 (E_RNA)
where:
Base-Base interactions energy: -326.529
where: short stacking energy: -145.104
Base-Backbone interact. energy: 0.959
local terms energy: -165.510791
where:
bonds (distance) C4'-P energy: -26.436
bonds (distance) P-C4' energy: -34.719
flat angles C4'-P-C4' energy: -46.844
flat angles P-C4'-P energy: -32.922
tors. eta vs tors. theta energy: -24.590
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: 6
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -229.256621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.256621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.256621 (E_RNA)
where:
Base-Base interactions energy: -85.681
where: short stacking energy: -62.848
Base-Backbone interact. energy: 1.615
local terms energy: -145.190667
where:
bonds (distance) C4'-P energy: -44.426
bonds (distance) P-C4' energy: -47.849
flat angles C4'-P-C4' energy: -31.635
flat angles P-C4'-P energy: -21.674
tors. eta vs tors. theta energy: 0.393
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: 8
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -944.311106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.311106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.311106 (E_RNA)
where:
Base-Base interactions energy: -649.843
where: short stacking energy: -273.076
Base-Backbone interact. energy: 0.299
local terms energy: -294.766542
where:
bonds (distance) C4'-P energy: -49.039
bonds (distance) P-C4' energy: -59.150
flat angles C4'-P-C4' energy: -60.590
flat angles P-C4'-P energy: -44.232
tors. eta vs tors. theta energy: -81.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -895.545257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.545257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.545257 (E_RNA)
where:
Base-Base interactions energy: -595.861
where: short stacking energy: -264.684
Base-Backbone interact. energy: -1.362
local terms energy: -298.322205
where:
bonds (distance) C4'-P energy: -56.591
bonds (distance) P-C4' energy: -56.420
flat angles C4'-P-C4' energy: -61.646
flat angles P-C4'-P energy: -40.960
tors. eta vs tors. theta energy: -82.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -885.838814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.838814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.838814 (E_RNA)
where:
Base-Base interactions energy: -610.105
where: short stacking energy: -269.486
Base-Backbone interact. energy: -0.372
local terms energy: -275.361514
where:
bonds (distance) C4'-P energy: -46.910
bonds (distance) P-C4' energy: -53.090
flat angles C4'-P-C4' energy: -61.061
flat angles P-C4'-P energy: -34.188
tors. eta vs tors. theta energy: -80.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -827.903493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.903493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.903493 (E_RNA)
where:
Base-Base interactions energy: -573.337
where: short stacking energy: -237.201
Base-Backbone interact. energy: 0.276
local terms energy: -254.843209
where:
bonds (distance) C4'-P energy: -48.853
bonds (distance) P-C4' energy: -51.536
flat angles C4'-P-C4' energy: -53.735
flat angles P-C4'-P energy: -39.644
tors. eta vs tors. theta energy: -61.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -784.923788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.923788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.923788 (E_RNA)
where:
Base-Base interactions energy: -544.642
where: short stacking energy: -225.089
Base-Backbone interact. energy: -0.677
local terms energy: -239.603847
where:
bonds (distance) C4'-P energy: -46.461
bonds (distance) P-C4' energy: -45.817
flat angles C4'-P-C4' energy: -57.353
flat angles P-C4'-P energy: -33.068
tors. eta vs tors. theta energy: -56.905
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: 142
Temperature: 1.150000
Total energy: -762.828051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.828051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.828051 (E_RNA)
where:
Base-Base interactions energy: -522.419
where: short stacking energy: -223.112
Base-Backbone interact. energy: -1.710
local terms energy: -238.698962
where:
bonds (distance) C4'-P energy: -47.050
bonds (distance) P-C4' energy: -44.041
flat angles C4'-P-C4' energy: -53.775
flat angles P-C4'-P energy: -33.498
tors. eta vs tors. theta energy: -60.335
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: 3
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -739.743318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.743318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.743318 (E_RNA)
where:
Base-Base interactions energy: -510.261
where: short stacking energy: -214.129
Base-Backbone interact. energy: -0.024
local terms energy: -229.458482
where:
bonds (distance) C4'-P energy: -50.661
bonds (distance) P-C4' energy: -37.751
flat angles C4'-P-C4' energy: -52.969
flat angles P-C4'-P energy: -30.632
tors. eta vs tors. theta energy: -57.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -630.028451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.028451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.028451 (E_RNA)
where:
Base-Base interactions energy: -428.581
where: short stacking energy: -193.504
Base-Backbone interact. energy: -0.580
local terms energy: -200.867034
where:
bonds (distance) C4'-P energy: -36.428
bonds (distance) P-C4' energy: -38.959
flat angles C4'-P-C4' energy: -50.295
flat angles P-C4'-P energy: -26.813
tors. eta vs tors. theta energy: -48.372
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: 142
Temperature: 1.300000
Total energy: -485.101527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.101527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.101527 (E_RNA)
where:
Base-Base interactions energy: -331.560
where: short stacking energy: -135.635
Base-Backbone interact. energy: 0.072
local terms energy: -153.612943
where:
bonds (distance) C4'-P energy: -29.884
bonds (distance) P-C4' energy: -44.370
flat angles C4'-P-C4' energy: -44.238
flat angles P-C4'-P energy: -19.189
tors. eta vs tors. theta energy: -15.931
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: 6
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -229.660490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.660490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.660490 (E_RNA)
where:
Base-Base interactions energy: -71.655
where: short stacking energy: -49.134
Base-Backbone interact. energy: 0.285
local terms energy: -158.290228
where:
bonds (distance) C4'-P energy: -43.391
bonds (distance) P-C4' energy: -51.452
flat angles C4'-P-C4' energy: -40.916
flat angles P-C4'-P energy: -30.805
tors. eta vs tors. theta energy: 8.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -937.366440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.366440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.366440 (E_RNA)
where:
Base-Base interactions energy: -656.441
where: short stacking energy: -271.063
Base-Backbone interact. energy: -1.360
local terms energy: -279.565750
where:
bonds (distance) C4'-P energy: -47.014
bonds (distance) P-C4' energy: -53.515
flat angles C4'-P-C4' energy: -58.826
flat angles P-C4'-P energy: -38.914
tors. eta vs tors. theta energy: -81.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -904.322356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.322356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.322356 (E_RNA)
where:
Base-Base interactions energy: -611.678
where: short stacking energy: -269.299
Base-Backbone interact. energy: -0.478
local terms energy: -292.166747
where:
bonds (distance) C4'-P energy: -49.577
bonds (distance) P-C4' energy: -52.771
flat angles C4'-P-C4' energy: -62.864
flat angles P-C4'-P energy: -43.682
tors. eta vs tors. theta energy: -83.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -872.984706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.984706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.984706 (E_RNA)
where:
Base-Base interactions energy: -588.605
where: short stacking energy: -260.992
Base-Backbone interact. energy: -0.132
local terms energy: -284.247971
where:
bonds (distance) C4'-P energy: -55.026
bonds (distance) P-C4' energy: -50.988
flat angles C4'-P-C4' energy: -63.371
flat angles P-C4'-P energy: -38.473
tors. eta vs tors. theta energy: -76.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -829.471169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.471169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.471169 (E_RNA)
where:
Base-Base interactions energy: -583.200
where: short stacking energy: -241.403
Base-Backbone interact. energy: -0.941
local terms energy: -245.329997
where:
bonds (distance) C4'-P energy: -49.892
bonds (distance) P-C4' energy: -38.505
flat angles C4'-P-C4' energy: -50.424
flat angles P-C4'-P energy: -39.281
tors. eta vs tors. theta energy: -67.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -777.133559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.133559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.133559 (E_RNA)
where:
Base-Base interactions energy: -548.406
where: short stacking energy: -224.830
Base-Backbone interact. energy: -1.584
local terms energy: -227.143550
where:
bonds (distance) C4'-P energy: -38.104
bonds (distance) P-C4' energy: -44.248
flat angles C4'-P-C4' energy: -56.271
flat angles P-C4'-P energy: -30.328
tors. eta vs tors. theta energy: -58.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -772.733636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.733636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.733636 (E_RNA)
where:
Base-Base interactions energy: -529.759
where: short stacking energy: -223.257
Base-Backbone interact. energy: -0.988
local terms energy: -241.986118
where:
bonds (distance) C4'-P energy: -44.784
bonds (distance) P-C4' energy: -44.006
flat angles C4'-P-C4' energy: -50.158
flat angles P-C4'-P energy: -34.068
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: 7, replica: 3
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -732.929698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.929698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.929698 (E_RNA)
where:
Base-Base interactions energy: -506.706
where: short stacking energy: -201.568
Base-Backbone interact. energy: -0.822
local terms energy: -225.401881
where:
bonds (distance) C4'-P energy: -36.104
bonds (distance) P-C4' energy: -49.257
flat angles C4'-P-C4' energy: -48.118
flat angles P-C4'-P energy: -34.746
tors. eta vs tors. theta energy: -57.177
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: 4
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -672.456577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.456577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.456577 (E_RNA)
where:
Base-Base interactions energy: -466.487
where: short stacking energy: -183.112
Base-Backbone interact. energy: 2.292
local terms energy: -208.261558
where:
bonds (distance) C4'-P energy: -43.662
bonds (distance) P-C4' energy: -44.576
flat angles C4'-P-C4' energy: -43.497
flat angles P-C4'-P energy: -27.742
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: 9, replica: 9
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -543.574195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.574195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.574195 (E_RNA)
where:
Base-Base interactions energy: -361.594
where: short stacking energy: -156.739
Base-Backbone interact. energy: -0.698
local terms energy: -181.281999
where:
bonds (distance) C4'-P energy: -33.689
bonds (distance) P-C4' energy: -41.897
flat angles C4'-P-C4' energy: -52.247
flat angles P-C4'-P energy: -30.011
tors. eta vs tors. theta energy: -23.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -208.403545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.403545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.403545 (E_RNA)
where:
Base-Base interactions energy: -69.392
where: short stacking energy: -63.994
Base-Backbone interact. energy: -0.619
local terms energy: -138.392424
where:
bonds (distance) C4'-P energy: -40.516
bonds (distance) P-C4' energy: -45.555
flat angles C4'-P-C4' energy: -43.223
flat angles P-C4'-P energy: -25.465
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: 1, replica: 8
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -944.557269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.557269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.557269 (E_RNA)
where:
Base-Base interactions energy: -661.083
where: short stacking energy: -275.905
Base-Backbone interact. energy: -1.690
local terms energy: -281.784222
where:
bonds (distance) C4'-P energy: -56.061
bonds (distance) P-C4' energy: -48.826
flat angles C4'-P-C4' energy: -56.689
flat angles P-C4'-P energy: -38.062
tors. eta vs tors. theta energy: -82.145
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: 2, replica: 5
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -900.701606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.701606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.701606 (E_RNA)
where:
Base-Base interactions energy: -631.669
where: short stacking energy: -285.227
Base-Backbone interact. energy: 0.960
local terms energy: -269.992171
where:
bonds (distance) C4'-P energy: -49.883
bonds (distance) P-C4' energy: -41.320
flat angles C4'-P-C4' energy: -61.525
flat angles P-C4'-P energy: -37.887
tors. eta vs tors. theta energy: -79.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -858.830867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.830867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.830867 (E_RNA)
where:
Base-Base interactions energy: -589.577
where: short stacking energy: -255.691
Base-Backbone interact. energy: -0.333
local terms energy: -268.921266
where:
bonds (distance) C4'-P energy: -47.632
bonds (distance) P-C4' energy: -52.640
flat angles C4'-P-C4' energy: -55.726
flat angles P-C4'-P energy: -38.398
tors. eta vs tors. theta energy: -74.525
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: 2
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -872.049470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.049470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.049470 (E_RNA)
where:
Base-Base interactions energy: -612.605
where: short stacking energy: -256.242
Base-Backbone interact. energy: 0.016
local terms energy: -259.460676
where:
bonds (distance) C4'-P energy: -44.423
bonds (distance) P-C4' energy: -42.989
flat angles C4'-P-C4' energy: -53.828
flat angles P-C4'-P energy: -37.929
tors. eta vs tors. theta energy: -80.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -804.159264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.159264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.159264 (E_RNA)
where:
Base-Base interactions energy: -548.836
where: short stacking energy: -232.655
Base-Backbone interact. energy: -0.853
local terms energy: -254.470453
where:
bonds (distance) C4'-P energy: -52.656
bonds (distance) P-C4' energy: -49.118
flat angles C4'-P-C4' energy: -54.820
flat angles P-C4'-P energy: -38.211
tors. eta vs tors. theta energy: -59.666
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: 6, replica: 7
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -757.754229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.754229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.754229 (E_RNA)
where:
Base-Base interactions energy: -522.763
where: short stacking energy: -216.889
Base-Backbone interact. energy: 0.813
local terms energy: -235.803825
where:
bonds (distance) C4'-P energy: -41.896
bonds (distance) P-C4' energy: -43.489
flat angles C4'-P-C4' energy: -54.376
flat angles P-C4'-P energy: -33.939
tors. eta vs tors. theta energy: -62.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -712.183795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.183795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.183795 (E_RNA)
where:
Base-Base interactions energy: -483.109
where: short stacking energy: -210.049
Base-Backbone interact. energy: -0.317
local terms energy: -228.757884
where:
bonds (distance) C4'-P energy: -40.107
bonds (distance) P-C4' energy: -41.191
flat angles C4'-P-C4' energy: -53.394
flat angles P-C4'-P energy: -26.028
tors. eta vs tors. theta energy: -68.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -701.653956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.653956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.653956 (E_RNA)
where:
Base-Base interactions energy: -497.148
where: short stacking energy: -206.658
Base-Backbone interact. energy: 0.331
local terms energy: -204.836663
where:
bonds (distance) C4'-P energy: -32.817
bonds (distance) P-C4' energy: -42.708
flat angles C4'-P-C4' energy: -51.869
flat angles P-C4'-P energy: -22.026
tors. eta vs tors. theta energy: -55.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -551.001264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.001264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.001264 (E_RNA)
where:
Base-Base interactions energy: -355.893
where: short stacking energy: -160.083
Base-Backbone interact. energy: 0.549
local terms energy: -195.657713
where:
bonds (distance) C4'-P energy: -39.879
bonds (distance) P-C4' energy: -40.234
flat angles C4'-P-C4' energy: -47.949
flat angles P-C4'-P energy: -29.248
tors. eta vs tors. theta energy: -38.347
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: 6
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -236.951429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.951429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.951429 (E_RNA)
where:
Base-Base interactions energy: -92.482
where: short stacking energy: -90.106
Base-Backbone interact. energy: -0.152
local terms energy: -144.317524
where:
bonds (distance) C4'-P energy: -39.241
bonds (distance) P-C4' energy: -43.370
flat angles C4'-P-C4' energy: -38.268
flat angles P-C4'-P energy: -16.765
tors. eta vs tors. theta energy: -6.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -942.209895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.209895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.209895 (E_RNA)
where:
Base-Base interactions energy: -656.105
where: short stacking energy: -273.042
Base-Backbone interact. energy: -0.474
local terms energy: -285.631023
where:
bonds (distance) C4'-P energy: -55.247
bonds (distance) P-C4' energy: -51.427
flat angles C4'-P-C4' energy: -60.906
flat angles P-C4'-P energy: -41.827
tors. eta vs tors. theta energy: -76.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -892.948077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.948077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.948077 (E_RNA)
where:
Base-Base interactions energy: -617.199
where: short stacking energy: -277.754
Base-Backbone interact. energy: -1.039
local terms energy: -274.709401
where:
bonds (distance) C4'-P energy: -52.650
bonds (distance) P-C4' energy: -46.313
flat angles C4'-P-C4' energy: -54.244
flat angles P-C4'-P energy: -42.144
tors. eta vs tors. theta energy: -79.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -892.161897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.161897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.161897 (E_RNA)
where:
Base-Base interactions energy: -612.935
where: short stacking energy: -276.968
Base-Backbone interact. energy: -0.624
local terms energy: -278.603360
where:
bonds (distance) C4'-P energy: -39.293
bonds (distance) P-C4' energy: -52.830
flat angles C4'-P-C4' energy: -57.727
flat angles P-C4'-P energy: -48.867
tors. eta vs tors. theta energy: -79.885
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: 2
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -860.272368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.272368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.272368 (E_RNA)
where:
Base-Base interactions energy: -598.342
where: short stacking energy: -254.186
Base-Backbone interact. energy: 2.914
local terms energy: -264.844991
where:
bonds (distance) C4'-P energy: -52.518
bonds (distance) P-C4' energy: -51.140
flat angles C4'-P-C4' energy: -48.368
flat angles P-C4'-P energy: -38.659
tors. eta vs tors. theta energy: -74.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -799.171946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.171946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.171946 (E_RNA)
where:
Base-Base interactions energy: -551.742
where: short stacking energy: -218.250
Base-Backbone interact. energy: -0.326
local terms energy: -247.103871
where:
bonds (distance) C4'-P energy: -47.084
bonds (distance) P-C4' energy: -49.260
flat angles C4'-P-C4' energy: -55.313
flat angles P-C4'-P energy: -31.037
tors. eta vs tors. theta energy: -64.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -762.643241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.643241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.643241 (E_RNA)
where:
Base-Base interactions energy: -528.116
where: short stacking energy: -230.470
Base-Backbone interact. energy: -0.905
local terms energy: -233.622415
where:
bonds (distance) C4'-P energy: -45.858
bonds (distance) P-C4' energy: -44.361
flat angles C4'-P-C4' energy: -47.950
flat angles P-C4'-P energy: -30.284
tors. eta vs tors. theta energy: -65.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -762.463165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.463165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.463165 (E_RNA)
where:
Base-Base interactions energy: -522.523
where: short stacking energy: -224.399
Base-Backbone interact. energy: -0.042
local terms energy: -239.898411
where:
bonds (distance) C4'-P energy: -51.374
bonds (distance) P-C4' energy: -40.990
flat angles C4'-P-C4' energy: -55.080
flat angles P-C4'-P energy: -29.876
tors. eta vs tors. theta energy: -62.579
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: 3
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -703.538668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.538668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.538668 (E_RNA)
where:
Base-Base interactions energy: -500.492
where: short stacking energy: -205.566
Base-Backbone interact. energy: -0.977
local terms energy: -202.069227
where:
bonds (distance) C4'-P energy: -33.690
bonds (distance) P-C4' energy: -28.020
flat angles C4'-P-C4' energy: -56.057
flat angles P-C4'-P energy: -30.014
tors. eta vs tors. theta energy: -54.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -529.848237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.848237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.848237 (E_RNA)
where:
Base-Base interactions energy: -335.873
where: short stacking energy: -154.697
Base-Backbone interact. energy: -0.471
local terms energy: -193.504260
where:
bonds (distance) C4'-P energy: -34.532
bonds (distance) P-C4' energy: -44.658
flat angles C4'-P-C4' energy: -51.927
flat angles P-C4'-P energy: -25.424
tors. eta vs tors. theta energy: -36.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -223.488800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.488800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.488800 (E_RNA)
where:
Base-Base interactions energy: -67.133
where: short stacking energy: -62.798
Base-Backbone interact. energy: 0.979
local terms energy: -157.335468
where:
bonds (distance) C4'-P energy: -32.880
bonds (distance) P-C4' energy: -47.907
flat angles C4'-P-C4' energy: -45.613
flat angles P-C4'-P energy: -33.090
tors. eta vs tors. theta energy: 2.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -913.601728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.601728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.601728 (E_RNA)
where:
Base-Base interactions energy: -634.482
where: short stacking energy: -276.769
Base-Backbone interact. energy: -0.290
local terms energy: -278.829802
where:
bonds (distance) C4'-P energy: -44.447
bonds (distance) P-C4' energy: -56.409
flat angles C4'-P-C4' energy: -61.798
flat angles P-C4'-P energy: -42.353
tors. eta vs tors. theta energy: -73.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -931.507382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.507382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.507382 (E_RNA)
where:
Base-Base interactions energy: -644.310
where: short stacking energy: -265.659
Base-Backbone interact. energy: 0.520
local terms energy: -287.717661
where:
bonds (distance) C4'-P energy: -56.701
bonds (distance) P-C4' energy: -57.078
flat angles C4'-P-C4' energy: -58.269
flat angles P-C4'-P energy: -36.639
tors. eta vs tors. theta energy: -79.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -884.303082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.303082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.303082 (E_RNA)
where:
Base-Base interactions energy: -607.479
where: short stacking energy: -271.960
Base-Backbone interact. energy: -0.832
local terms energy: -275.991795
where:
bonds (distance) C4'-P energy: -53.516
bonds (distance) P-C4' energy: -46.703
flat angles C4'-P-C4' energy: -60.898
flat angles P-C4'-P energy: -39.719
tors. eta vs tors. theta energy: -75.156
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: 2
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -847.954564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.954564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.954564 (E_RNA)
where:
Base-Base interactions energy: -599.997
where: short stacking energy: -245.348
Base-Backbone interact. energy: -1.817
local terms energy: -246.140408
where:
bonds (distance) C4'-P energy: -54.818
bonds (distance) P-C4' energy: -47.050
flat angles C4'-P-C4' energy: -43.904
flat angles P-C4'-P energy: -36.647
tors. eta vs tors. theta energy: -63.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -787.798851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.798851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.798851 (E_RNA)
where:
Base-Base interactions energy: -547.274
where: short stacking energy: -224.260
Base-Backbone interact. energy: -0.581
local terms energy: -239.943273
where:
bonds (distance) C4'-P energy: -42.382
bonds (distance) P-C4' energy: -43.645
flat angles C4'-P-C4' energy: -52.298
flat angles P-C4'-P energy: -35.721
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: 7
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -778.036465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.036465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.036465 (E_RNA)
where:
Base-Base interactions energy: -530.631
where: short stacking energy: -221.382
Base-Backbone interact. energy: -0.220
local terms energy: -247.185489
where:
bonds (distance) C4'-P energy: -44.865
bonds (distance) P-C4' energy: -50.526
flat angles C4'-P-C4' energy: -51.307
flat angles P-C4'-P energy: -38.256
tors. eta vs tors. theta energy: -62.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -758.785453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.785453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.785453 (E_RNA)
where:
Base-Base interactions energy: -524.473
where: short stacking energy: -220.585
Base-Backbone interact. energy: 0.778
local terms energy: -235.090973
where:
bonds (distance) C4'-P energy: -45.710
bonds (distance) P-C4' energy: -49.679
flat angles C4'-P-C4' energy: -46.957
flat angles P-C4'-P energy: -33.322
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: 8, replica: 3
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -686.808581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.808581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.808581 (E_RNA)
where:
Base-Base interactions energy: -482.456
where: short stacking energy: -191.465
Base-Backbone interact. energy: -1.027
local terms energy: -203.326165
where:
bonds (distance) C4'-P energy: -40.777
bonds (distance) P-C4' energy: -38.634
flat angles C4'-P-C4' energy: -41.642
flat angles P-C4'-P energy: -34.753
tors. eta vs tors. theta energy: -47.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -610.557647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.557647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.557647 (E_RNA)
where:
Base-Base interactions energy: -415.923
where: short stacking energy: -197.882
Base-Backbone interact. energy: -0.609
local terms energy: -194.025425
where:
bonds (distance) C4'-P energy: -39.533
bonds (distance) P-C4' energy: -37.582
flat angles C4'-P-C4' energy: -44.506
flat angles P-C4'-P energy: -25.002
tors. eta vs tors. theta energy: -47.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -210.944426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.944426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.944426 (E_RNA)
where:
Base-Base interactions energy: -72.200
where: short stacking energy: -55.593
Base-Backbone interact. energy: 1.322
local terms energy: -140.067080
where:
bonds (distance) C4'-P energy: -44.621
bonds (distance) P-C4' energy: -45.836
flat angles C4'-P-C4' energy: -38.208
flat angles P-C4'-P energy: -20.413
tors. eta vs tors. theta energy: 9.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -908.924740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.924740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.924740 (E_RNA)
where:
Base-Base interactions energy: -629.009
where: short stacking energy: -295.027
Base-Backbone interact. energy: 0.541
local terms energy: -280.457442
where:
bonds (distance) C4'-P energy: -46.946
bonds (distance) P-C4' energy: -51.092
flat angles C4'-P-C4' energy: -61.511
flat angles P-C4'-P energy: -40.787
tors. eta vs tors. theta energy: -80.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -917.446783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.446783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.446783 (E_RNA)
where:
Base-Base interactions energy: -638.767
where: short stacking energy: -254.846
Base-Backbone interact. energy: -0.986
local terms energy: -277.693504
where:
bonds (distance) C4'-P energy: -51.048
bonds (distance) P-C4' energy: -56.990
flat angles C4'-P-C4' energy: -49.224
flat angles P-C4'-P energy: -36.464
tors. eta vs tors. theta energy: -83.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -876.714253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.714253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.714253 (E_RNA)
where:
Base-Base interactions energy: -606.560
where: short stacking energy: -273.607
Base-Backbone interact. energy: 0.048
local terms energy: -270.202337
where:
bonds (distance) C4'-P energy: -42.996
bonds (distance) P-C4' energy: -44.444
flat angles C4'-P-C4' energy: -63.680
flat angles P-C4'-P energy: -40.482
tors. eta vs tors. theta energy: -78.600
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: 2
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -853.341852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.341852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.341852 (E_RNA)
where:
Base-Base interactions energy: -605.731
where: short stacking energy: -253.127
Base-Backbone interact. energy: -0.023
local terms energy: -247.588309
where:
bonds (distance) C4'-P energy: -36.723
bonds (distance) P-C4' energy: -50.455
flat angles C4'-P-C4' energy: -54.520
flat angles P-C4'-P energy: -30.913
tors. eta vs tors. theta energy: -74.976
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: 147
Temperature: 1.100000
Total energy: -766.997690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.997690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.997690 (E_RNA)
where:
Base-Base interactions energy: -530.294
where: short stacking energy: -205.727
Base-Backbone interact. energy: -1.734
local terms energy: -234.970293
where:
bonds (distance) C4'-P energy: -42.870
bonds (distance) P-C4' energy: -47.877
flat angles C4'-P-C4' energy: -46.796
flat angles P-C4'-P energy: -43.633
tors. eta vs tors. theta energy: -53.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -787.791996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.791996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.791996 (E_RNA)
where:
Base-Base interactions energy: -539.570
where: short stacking energy: -220.809
Base-Backbone interact. energy: -0.318
local terms energy: -247.904357
where:
bonds (distance) C4'-P energy: -50.597
bonds (distance) P-C4' energy: -48.465
flat angles C4'-P-C4' energy: -46.316
flat angles P-C4'-P energy: -35.038
tors. eta vs tors. theta energy: -67.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -738.400926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.400926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.400926 (E_RNA)
where:
Base-Base interactions energy: -506.220
where: short stacking energy: -191.782
Base-Backbone interact. energy: -1.220
local terms energy: -230.960349
where:
bonds (distance) C4'-P energy: -44.095
bonds (distance) P-C4' energy: -46.891
flat angles C4'-P-C4' energy: -51.866
flat angles P-C4'-P energy: -37.732
tors. eta vs tors. theta energy: -50.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -722.370936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.370936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.370936 (E_RNA)
where:
Base-Base interactions energy: -494.776
where: short stacking energy: -215.395
Base-Backbone interact. energy: 2.121
local terms energy: -229.716515
where:
bonds (distance) C4'-P energy: -32.247
bonds (distance) P-C4' energy: -43.193
flat angles C4'-P-C4' energy: -51.079
flat angles P-C4'-P energy: -38.040
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: 9, replica: 9
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -578.058849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.058849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.058849 (E_RNA)
where:
Base-Base interactions energy: -389.233
where: short stacking energy: -168.126
Base-Backbone interact. energy: -0.533
local terms energy: -188.292791
where:
bonds (distance) C4'-P energy: -27.094
bonds (distance) P-C4' energy: -46.076
flat angles C4'-P-C4' energy: -48.909
flat angles P-C4'-P energy: -27.548
tors. eta vs tors. theta energy: -38.666
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: 6
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -233.882572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.882572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.882572 (E_RNA)
where:
Base-Base interactions energy: -85.823
where: short stacking energy: -73.946
Base-Backbone interact. energy: 0.695
local terms energy: -148.754894
where:
bonds (distance) C4'-P energy: -39.903
bonds (distance) P-C4' energy: -48.453
flat angles C4'-P-C4' energy: -38.299
flat angles P-C4'-P energy: -20.473
tors. eta vs tors. theta energy: -1.626
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: 1, replica: 8
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -950.507680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.507680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.507680 (E_RNA)
where:
Base-Base interactions energy: -647.422
where: short stacking energy: -270.049
Base-Backbone interact. energy: -1.577
local terms energy: -301.508256
where:
bonds (distance) C4'-P energy: -50.274
bonds (distance) P-C4' energy: -57.505
flat angles C4'-P-C4' energy: -64.164
flat angles P-C4'-P energy: -44.355
tors. eta vs tors. theta energy: -85.211
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: 1
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -873.780997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.780997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.780997 (E_RNA)
where:
Base-Base interactions energy: -588.448
where: short stacking energy: -274.043
Base-Backbone interact. energy: -0.094
local terms energy: -285.239335
where:
bonds (distance) C4'-P energy: -54.174
bonds (distance) P-C4' energy: -52.307
flat angles C4'-P-C4' energy: -63.818
flat angles P-C4'-P energy: -39.912
tors. eta vs tors. theta energy: -75.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -874.669526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.669526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.669526 (E_RNA)
where:
Base-Base interactions energy: -624.914
where: short stacking energy: -257.817
Base-Backbone interact. energy: -1.287
local terms energy: -248.467984
where:
bonds (distance) C4'-P energy: -50.419
bonds (distance) P-C4' energy: -37.875
flat angles C4'-P-C4' energy: -50.239
flat angles P-C4'-P energy: -39.489
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: 5
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -879.135774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.135774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.135774 (E_RNA)
where:
Base-Base interactions energy: -603.768
where: short stacking energy: -263.044
Base-Backbone interact. energy: -0.330
local terms energy: -275.038365
where:
bonds (distance) C4'-P energy: -49.183
bonds (distance) P-C4' energy: -44.596
flat angles C4'-P-C4' energy: -64.350
flat angles P-C4'-P energy: -38.332
tors. eta vs tors. theta energy: -78.577
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: 7
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -830.617507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.617507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.617507 (E_RNA)
where:
Base-Base interactions energy: -564.298
where: short stacking energy: -233.992
Base-Backbone interact. energy: -0.750
local terms energy: -265.568939
where:
bonds (distance) C4'-P energy: -49.792
bonds (distance) P-C4' energy: -53.652
flat angles C4'-P-C4' energy: -52.258
flat angles P-C4'-P energy: -50.137
tors. eta vs tors. theta energy: -59.730
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: 10
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -789.345710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.345710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.345710 (E_RNA)
where:
Base-Base interactions energy: -544.338
where: short stacking energy: -224.224
Base-Backbone interact. energy: 1.343
local terms energy: -246.351321
where:
bonds (distance) C4'-P energy: -51.089
bonds (distance) P-C4' energy: -45.450
flat angles C4'-P-C4' energy: -52.653
flat angles P-C4'-P energy: -35.235
tors. eta vs tors. theta energy: -61.924
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: 3
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -729.179967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.179967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.179967 (E_RNA)
where:
Base-Base interactions energy: -491.895
where: short stacking energy: -213.219
Base-Backbone interact. energy: -0.340
local terms energy: -236.945186
where:
bonds (distance) C4'-P energy: -44.576
bonds (distance) P-C4' energy: -58.547
flat angles C4'-P-C4' energy: -39.852
flat angles P-C4'-P energy: -31.187
tors. eta vs tors. theta energy: -62.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -704.195709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.195709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.195709 (E_RNA)
where:
Base-Base interactions energy: -478.663
where: short stacking energy: -195.229
Base-Backbone interact. energy: -0.386
local terms energy: -225.146560
where:
bonds (distance) C4'-P energy: -49.125
bonds (distance) P-C4' energy: -39.885
flat angles C4'-P-C4' energy: -49.890
flat angles P-C4'-P energy: -32.003
tors. eta vs tors. theta energy: -54.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -537.604844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.604844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.604844 (E_RNA)
where:
Base-Base interactions energy: -335.276
where: short stacking energy: -148.936
Base-Backbone interact. energy: 1.011
local terms energy: -203.339796
where:
bonds (distance) C4'-P energy: -37.970
bonds (distance) P-C4' energy: -47.310
flat angles C4'-P-C4' energy: -47.796
flat angles P-C4'-P energy: -37.565
tors. eta vs tors. theta energy: -32.699
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: 6
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -253.939486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.939486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.939486 (E_RNA)
where:
Base-Base interactions energy: -94.049
where: short stacking energy: -60.460
Base-Backbone interact. energy: 0.029
local terms energy: -159.919248
where:
bonds (distance) C4'-P energy: -48.669
bonds (distance) P-C4' energy: -43.180
flat angles C4'-P-C4' energy: -36.378
flat angles P-C4'-P energy: -35.593
tors. eta vs tors. theta energy: 3.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -949.944705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.944705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.944705 (E_RNA)
where:
Base-Base interactions energy: -656.216
where: short stacking energy: -263.868
Base-Backbone interact. energy: -0.657
local terms energy: -293.071740
where:
bonds (distance) C4'-P energy: -49.428
bonds (distance) P-C4' energy: -58.087
flat angles C4'-P-C4' energy: -61.268
flat angles P-C4'-P energy: -44.790
tors. eta vs tors. theta energy: -79.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -888.300515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.300515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.300515 (E_RNA)
where:
Base-Base interactions energy: -618.441
where: short stacking energy: -257.706
Base-Backbone interact. energy: -0.780
local terms energy: -269.079272
where:
bonds (distance) C4'-P energy: -47.667
bonds (distance) P-C4' energy: -49.785
flat angles C4'-P-C4' energy: -55.666
flat angles P-C4'-P energy: -43.885
tors. eta vs tors. theta energy: -72.077
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: 1
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -867.168320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.168320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.168320 (E_RNA)
where:
Base-Base interactions energy: -585.020
where: short stacking energy: -257.604
Base-Backbone interact. energy: 0.263
local terms energy: -282.411889
where:
bonds (distance) C4'-P energy: -46.382
bonds (distance) P-C4' energy: -51.015
flat angles C4'-P-C4' energy: -61.558
flat angles P-C4'-P energy: -41.612
tors. eta vs tors. theta energy: -81.845
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: 7
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -812.529165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.529165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.529165 (E_RNA)
where:
Base-Base interactions energy: -575.571
where: short stacking energy: -235.787
Base-Backbone interact. energy: -1.860
local terms energy: -235.097858
where:
bonds (distance) C4'-P energy: -43.624
bonds (distance) P-C4' energy: -42.494
flat angles C4'-P-C4' energy: -56.396
flat angles P-C4'-P energy: -36.764
tors. eta vs tors. theta energy: -55.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -839.642714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.642714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.642714 (E_RNA)
where:
Base-Base interactions energy: -589.043
where: short stacking energy: -253.751
Base-Backbone interact. energy: 0.793
local terms energy: -251.393076
where:
bonds (distance) C4'-P energy: -41.847
bonds (distance) P-C4' energy: -44.891
flat angles C4'-P-C4' energy: -51.068
flat angles P-C4'-P energy: -34.535
tors. eta vs tors. theta energy: -79.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -727.343643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.343643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.343643 (E_RNA)
where:
Base-Base interactions energy: -489.277
where: short stacking energy: -210.791
Base-Backbone interact. energy: -0.982
local terms energy: -237.084212
where:
bonds (distance) C4'-P energy: -48.948
bonds (distance) P-C4' energy: -56.105
flat angles C4'-P-C4' energy: -48.624
flat angles P-C4'-P energy: -31.013
tors. eta vs tors. theta energy: -52.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -702.959716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.959716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.959716 (E_RNA)
where:
Base-Base interactions energy: -501.583
where: short stacking energy: -188.681
Base-Backbone interact. energy: -0.745
local terms energy: -200.631947
where:
bonds (distance) C4'-P energy: -42.906
bonds (distance) P-C4' energy: -47.704
flat angles C4'-P-C4' energy: -40.554
flat angles P-C4'-P energy: -21.650
tors. eta vs tors. theta energy: -47.819
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: 149
Temperature: 1.250000
Total energy: -741.026524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.026524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.026524 (E_RNA)
where:
Base-Base interactions energy: -508.314
where: short stacking energy: -205.527
Base-Backbone interact. energy: -3.068
local terms energy: -229.644198
where:
bonds (distance) C4'-P energy: -33.990
bonds (distance) P-C4' energy: -51.207
flat angles C4'-P-C4' energy: -49.578
flat angles P-C4'-P energy: -35.351
tors. eta vs tors. theta energy: -59.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -592.158653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.158653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.158653 (E_RNA)
where:
Base-Base interactions energy: -410.533
where: short stacking energy: -182.978
Base-Backbone interact. energy: 4.344
local terms energy: -185.969119
where:
bonds (distance) C4'-P energy: -29.428
bonds (distance) P-C4' energy: -39.928
flat angles C4'-P-C4' energy: -48.805
flat angles P-C4'-P energy: -24.759
tors. eta vs tors. theta energy: -43.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -244.410423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.410423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.410423 (E_RNA)
where:
Base-Base interactions energy: -97.851
where: short stacking energy: -90.707
Base-Backbone interact. energy: -0.512
local terms energy: -146.047980
where:
bonds (distance) C4'-P energy: -44.351
bonds (distance) P-C4' energy: -36.066
flat angles C4'-P-C4' energy: -45.908
flat angles P-C4'-P energy: -13.980
tors. eta vs tors. theta energy: -5.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -905.827671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.827671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.827671 (E_RNA)
where:
Base-Base interactions energy: -626.913
where: short stacking energy: -276.950
Base-Backbone interact. energy: -1.046
local terms energy: -277.868579
where:
bonds (distance) C4'-P energy: -49.334
bonds (distance) P-C4' energy: -56.482
flat angles C4'-P-C4' energy: -55.252
flat angles P-C4'-P energy: -43.543
tors. eta vs tors. theta energy: -73.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -918.146978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.146978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.146978 (E_RNA)
where:
Base-Base interactions energy: -637.879
where: short stacking energy: -268.262
Base-Backbone interact. energy: -0.748
local terms energy: -279.520390
where:
bonds (distance) C4'-P energy: -43.428
bonds (distance) P-C4' energy: -56.385
flat angles C4'-P-C4' energy: -60.630
flat angles P-C4'-P energy: -36.390
tors. eta vs tors. theta energy: -82.688
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: 150
Temperature: 1.000000
Total energy: -835.938306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.938306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.938306 (E_RNA)
where:
Base-Base interactions energy: -565.624
where: short stacking energy: -235.666
Base-Backbone interact. energy: -0.179
local terms energy: -270.134964
where:
bonds (distance) C4'-P energy: -47.189
bonds (distance) P-C4' energy: -52.592
flat angles C4'-P-C4' energy: -58.751
flat angles P-C4'-P energy: -39.760
tors. eta vs tors. theta energy: -71.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -839.320459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.320459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.320459 (E_RNA)
where:
Base-Base interactions energy: -585.112
where: short stacking energy: -253.468
Base-Backbone interact. energy: -0.621
local terms energy: -253.588153
where:
bonds (distance) C4'-P energy: -46.499
bonds (distance) P-C4' energy: -49.887
flat angles C4'-P-C4' energy: -56.153
flat angles P-C4'-P energy: -38.876
tors. eta vs tors. theta energy: -62.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -854.159970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.159970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.159970 (E_RNA)
where:
Base-Base interactions energy: -579.196
where: short stacking energy: -267.600
Base-Backbone interact. energy: -0.942
local terms energy: -274.021445
where:
bonds (distance) C4'-P energy: -46.127
bonds (distance) P-C4' energy: -51.990
flat angles C4'-P-C4' energy: -56.530
flat angles P-C4'-P energy: -39.207
tors. eta vs tors. theta energy: -80.168
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: 6, replica: 10
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -744.439965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.439965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.439965 (E_RNA)
where:
Base-Base interactions energy: -507.870
where: short stacking energy: -217.395
Base-Backbone interact. energy: -0.463
local terms energy: -236.107638
where:
bonds (distance) C4'-P energy: -49.787
bonds (distance) P-C4' energy: -41.844
flat angles C4'-P-C4' energy: -48.815
flat angles P-C4'-P energy: -34.640
tors. eta vs tors. theta energy: -61.022
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: 150
Temperature: 1.200000
Total energy: -728.107126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.107126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.107126 (E_RNA)
where:
Base-Base interactions energy: -516.811
where: short stacking energy: -216.847
Base-Backbone interact. energy: -0.755
local terms energy: -210.541311
where:
bonds (distance) C4'-P energy: -31.676
bonds (distance) P-C4' energy: -43.152
flat angles C4'-P-C4' energy: -46.729
flat angles P-C4'-P energy: -29.131
tors. eta vs tors. theta energy: -59.853
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: 8, replica: 3
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -683.636725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.636725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.636725 (E_RNA)
where:
Base-Base interactions energy: -474.541
where: short stacking energy: -200.785
Base-Backbone interact. energy: -0.736
local terms energy: -208.360067
where:
bonds (distance) C4'-P energy: -40.414
bonds (distance) P-C4' energy: -50.237
flat angles C4'-P-C4' energy: -36.533
flat angles P-C4'-P energy: -29.358
tors. eta vs tors. theta energy: -51.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -585.864737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.864737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.864737 (E_RNA)
where:
Base-Base interactions energy: -386.008
where: short stacking energy: -172.585
Base-Backbone interact. energy: 0.372
local terms energy: -200.228313
where:
bonds (distance) C4'-P energy: -35.022
bonds (distance) P-C4' energy: -43.694
flat angles C4'-P-C4' energy: -40.525
flat angles P-C4'-P energy: -36.623
tors. eta vs tors. theta energy: -44.363
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: 6
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -222.229240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.229240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.229240 (E_RNA)
where:
Base-Base interactions energy: -85.750
where: short stacking energy: -58.328
Base-Backbone interact. energy: -1.604
local terms energy: -134.875696
where:
bonds (distance) C4'-P energy: -37.395
bonds (distance) P-C4' energy: -47.292
flat angles C4'-P-C4' energy: -39.823
flat angles P-C4'-P energy: -18.949
tors. eta vs tors. theta energy: 8.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -900.017347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.017347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.017347 (E_RNA)
where:
Base-Base interactions energy: -622.101
where: short stacking energy: -262.647
Base-Backbone interact. energy: -0.998
local terms energy: -276.918680
where:
bonds (distance) C4'-P energy: -56.875
bonds (distance) P-C4' energy: -49.447
flat angles C4'-P-C4' energy: -56.378
flat angles P-C4'-P energy: -35.797
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: 2, replica: 8
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -947.656844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.656844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.656844 (E_RNA)
where:
Base-Base interactions energy: -656.494
where: short stacking energy: -282.555
Base-Backbone interact. energy: -0.859
local terms energy: -290.304024
where:
bonds (distance) C4'-P energy: -54.080
bonds (distance) P-C4' energy: -46.947
flat angles C4'-P-C4' energy: -64.507
flat angles P-C4'-P energy: -39.340
tors. eta vs tors. theta energy: -85.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -843.559278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.559278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.559278 (E_RNA)
where:
Base-Base interactions energy: -568.901
where: short stacking energy: -260.068
Base-Backbone interact. energy: -0.069
local terms energy: -274.589032
where:
bonds (distance) C4'-P energy: -46.516
bonds (distance) P-C4' energy: -53.962
flat angles C4'-P-C4' energy: -53.805
flat angles P-C4'-P energy: -43.072
tors. eta vs tors. theta energy: -77.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -853.516078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.516078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.516078 (E_RNA)
where:
Base-Base interactions energy: -612.856
where: short stacking energy: -246.615
Base-Backbone interact. energy: -1.125
local terms energy: -239.534636
where:
bonds (distance) C4'-P energy: -40.375
bonds (distance) P-C4' energy: -46.995
flat angles C4'-P-C4' energy: -50.222
flat angles P-C4'-P energy: -39.671
tors. eta vs tors. theta energy: -62.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -829.405561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.405561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.405561 (E_RNA)
where:
Base-Base interactions energy: -571.248
where: short stacking energy: -252.169
Base-Backbone interact. energy: -1.013
local terms energy: -257.145073
where:
bonds (distance) C4'-P energy: -45.236
bonds (distance) P-C4' energy: -48.504
flat angles C4'-P-C4' energy: -55.455
flat angles P-C4'-P energy: -34.132
tors. eta vs tors. theta energy: -73.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -748.968155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.968155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.968155 (E_RNA)
where:
Base-Base interactions energy: -532.318
where: short stacking energy: -194.837
Base-Backbone interact. energy: -1.166
local terms energy: -215.483380
where:
bonds (distance) C4'-P energy: -38.449
bonds (distance) P-C4' energy: -47.476
flat angles C4'-P-C4' energy: -50.609
flat angles P-C4'-P energy: -33.631
tors. eta vs tors. theta energy: -45.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -726.978327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.978327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.978327 (E_RNA)
where:
Base-Base interactions energy: -496.746
where: short stacking energy: -208.497
Base-Backbone interact. energy: -0.318
local terms energy: -229.913938
where:
bonds (distance) C4'-P energy: -47.361
bonds (distance) P-C4' energy: -40.427
flat angles C4'-P-C4' energy: -51.845
flat angles P-C4'-P energy: -30.841
tors. eta vs tors. theta energy: -59.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -677.576445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.576445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.576445 (E_RNA)
where:
Base-Base interactions energy: -450.702
where: short stacking energy: -176.435
Base-Backbone interact. energy: -0.625
local terms energy: -226.249529
where:
bonds (distance) C4'-P energy: -38.161
bonds (distance) P-C4' energy: -52.629
flat angles C4'-P-C4' energy: -50.631
flat angles P-C4'-P energy: -35.280
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: 9, replica: 9
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -590.238534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.238534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.238534 (E_RNA)
where:
Base-Base interactions energy: -386.468
where: short stacking energy: -180.645
Base-Backbone interact. energy: -1.403
local terms energy: -202.367008
where:
bonds (distance) C4'-P energy: -40.763
bonds (distance) P-C4' energy: -43.763
flat angles C4'-P-C4' energy: -48.572
flat angles P-C4'-P energy: -30.431
tors. eta vs tors. theta energy: -38.838
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: 6
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -222.193091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.193091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.193091 (E_RNA)
where:
Base-Base interactions energy: -78.762
where: short stacking energy: -52.604
Base-Backbone interact. energy: -0.996
local terms energy: -142.435410
where:
bonds (distance) C4'-P energy: -40.247
bonds (distance) P-C4' energy: -41.196
flat angles C4'-P-C4' energy: -32.615
flat angles P-C4'-P energy: -26.596
tors. eta vs tors. theta energy: -1.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -943.878468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.878468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.878468 (E_RNA)
where:
Base-Base interactions energy: -645.891
where: short stacking energy: -288.035
Base-Backbone interact. energy: 0.260
local terms energy: -298.247340
where:
bonds (distance) C4'-P energy: -59.298
bonds (distance) P-C4' energy: -56.748
flat angles C4'-P-C4' energy: -57.317
flat angles P-C4'-P energy: -42.212
tors. eta vs tors. theta energy: -82.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -893.445831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.445831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.445831 (E_RNA)
where:
Base-Base interactions energy: -622.657
where: short stacking energy: -266.383
Base-Backbone interact. energy: -0.550
local terms energy: -270.239353
where:
bonds (distance) C4'-P energy: -39.414
bonds (distance) P-C4' energy: -48.859
flat angles C4'-P-C4' energy: -58.181
flat angles P-C4'-P energy: -47.229
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: 1
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -862.911597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.911597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.911597 (E_RNA)
where:
Base-Base interactions energy: -599.691
where: short stacking energy: -274.646
Base-Backbone interact. energy: -1.082
local terms energy: -262.139281
where:
bonds (distance) C4'-P energy: -39.207
bonds (distance) P-C4' energy: -52.364
flat angles C4'-P-C4' energy: -57.198
flat angles P-C4'-P energy: -34.764
tors. eta vs tors. theta energy: -78.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -818.988280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.988280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.988280 (E_RNA)
where:
Base-Base interactions energy: -573.604
where: short stacking energy: -227.585
Base-Backbone interact. energy: -1.554
local terms energy: -243.829764
where:
bonds (distance) C4'-P energy: -43.190
bonds (distance) P-C4' energy: -51.070
flat angles C4'-P-C4' energy: -54.157
flat angles P-C4'-P energy: -38.246
tors. eta vs tors. theta energy: -57.167
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: 5
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -848.515721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.515721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.515721 (E_RNA)
where:
Base-Base interactions energy: -578.997
where: short stacking energy: -247.938
Base-Backbone interact. energy: -1.006
local terms energy: -268.513253
where:
bonds (distance) C4'-P energy: -43.223
bonds (distance) P-C4' energy: -52.043
flat angles C4'-P-C4' energy: -60.687
flat angles P-C4'-P energy: -38.084
tors. eta vs tors. theta energy: -74.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -784.468306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.468306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.468306 (E_RNA)
where:
Base-Base interactions energy: -541.799
where: short stacking energy: -216.864
Base-Backbone interact. energy: -1.033
local terms energy: -241.636126
where:
bonds (distance) C4'-P energy: -48.930
bonds (distance) P-C4' energy: -50.295
flat angles C4'-P-C4' energy: -51.464
flat angles P-C4'-P energy: -37.377
tors. eta vs tors. theta energy: -53.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -742.735409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.735409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.735409 (E_RNA)
where:
Base-Base interactions energy: -515.205
where: short stacking energy: -198.368
Base-Backbone interact. energy: -0.169
local terms energy: -227.361578
where:
bonds (distance) C4'-P energy: -43.573
bonds (distance) P-C4' energy: -45.605
flat angles C4'-P-C4' energy: -51.845
flat angles P-C4'-P energy: -34.122
tors. eta vs tors. theta energy: -52.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -670.995921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.995921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.995921 (E_RNA)
where:
Base-Base interactions energy: -466.797
where: short stacking energy: -186.187
Base-Backbone interact. energy: -0.917
local terms energy: -203.281622
where:
bonds (distance) C4'-P energy: -42.905
bonds (distance) P-C4' energy: -39.053
flat angles C4'-P-C4' energy: -50.579
flat angles P-C4'-P energy: -26.082
tors. eta vs tors. theta energy: -44.664
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: 152
Temperature: 1.300000
Total energy: -586.550560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.550560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.550560 (E_RNA)
where:
Base-Base interactions energy: -387.028
where: short stacking energy: -165.876
Base-Backbone interact. energy: 0.870
local terms energy: -200.392963
where:
bonds (distance) C4'-P energy: -39.571
bonds (distance) P-C4' energy: -49.737
flat angles C4'-P-C4' energy: -38.481
flat angles P-C4'-P energy: -38.226
tors. eta vs tors. theta energy: -34.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -227.664741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.664741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.664741 (E_RNA)
where:
Base-Base interactions energy: -73.337
where: short stacking energy: -59.928
Base-Backbone interact. energy: -1.823
local terms energy: -152.504815
where:
bonds (distance) C4'-P energy: -45.344
bonds (distance) P-C4' energy: -51.166
flat angles C4'-P-C4' energy: -34.297
flat angles P-C4'-P energy: -28.927
tors. eta vs tors. theta energy: 7.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -944.209587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.209587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.209587 (E_RNA)
where:
Base-Base interactions energy: -650.186
where: short stacking energy: -276.449
Base-Backbone interact. energy: -0.952
local terms energy: -293.071977
where:
bonds (distance) C4'-P energy: -53.643
bonds (distance) P-C4' energy: -53.381
flat angles C4'-P-C4' energy: -61.581
flat angles P-C4'-P energy: -45.420
tors. eta vs tors. theta energy: -79.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -900.992682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.992682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.992682 (E_RNA)
where:
Base-Base interactions energy: -630.212
where: short stacking energy: -261.240
Base-Backbone interact. energy: 2.537
local terms energy: -273.317362
where:
bonds (distance) C4'-P energy: -55.270
bonds (distance) P-C4' energy: -53.381
flat angles C4'-P-C4' energy: -52.275
flat angles P-C4'-P energy: -39.832
tors. eta vs tors. theta energy: -72.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -856.368514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.368514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.368514 (E_RNA)
where:
Base-Base interactions energy: -588.349
where: short stacking energy: -246.058
Base-Backbone interact. energy: 0.703
local terms energy: -268.722180
where:
bonds (distance) C4'-P energy: -49.135
bonds (distance) P-C4' energy: -48.768
flat angles C4'-P-C4' energy: -53.649
flat angles P-C4'-P energy: -42.281
tors. eta vs tors. theta energy: -74.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -847.638429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.638429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.638429 (E_RNA)
where:
Base-Base interactions energy: -577.641
where: short stacking energy: -247.894
Base-Backbone interact. energy: -0.767
local terms energy: -269.230847
where:
bonds (distance) C4'-P energy: -51.109
bonds (distance) P-C4' energy: -45.329
flat angles C4'-P-C4' energy: -56.437
flat angles P-C4'-P energy: -37.129
tors. eta vs tors. theta energy: -79.228
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: 7
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -792.322715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.322715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.322715 (E_RNA)
where:
Base-Base interactions energy: -568.504
where: short stacking energy: -225.222
Base-Backbone interact. energy: -1.135
local terms energy: -222.683798
where:
bonds (distance) C4'-P energy: -47.324
bonds (distance) P-C4' energy: -44.468
flat angles C4'-P-C4' energy: -44.043
flat angles P-C4'-P energy: -35.460
tors. eta vs tors. theta energy: -51.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -793.128702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.128702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.128702 (E_RNA)
where:
Base-Base interactions energy: -567.969
where: short stacking energy: -217.588
Base-Backbone interact. energy: 0.568
local terms energy: -225.727703
where:
bonds (distance) C4'-P energy: -45.407
bonds (distance) P-C4' energy: -41.417
flat angles C4'-P-C4' energy: -46.627
flat angles P-C4'-P energy: -36.274
tors. eta vs tors. theta energy: -56.003
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: 10
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -705.361167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.361167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.361167 (E_RNA)
where:
Base-Base interactions energy: -505.589
where: short stacking energy: -211.582
Base-Backbone interact. energy: -0.560
local terms energy: -199.212476
where:
bonds (distance) C4'-P energy: -30.864
bonds (distance) P-C4' energy: -41.790
flat angles C4'-P-C4' energy: -49.972
flat angles P-C4'-P energy: -22.675
tors. eta vs tors. theta energy: -53.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -715.050823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.050823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.050823 (E_RNA)
where:
Base-Base interactions energy: -481.942
where: short stacking energy: -196.236
Base-Backbone interact. energy: -1.210
local terms energy: -231.898943
where:
bonds (distance) C4'-P energy: -44.524
bonds (distance) P-C4' energy: -50.136
flat angles C4'-P-C4' energy: -50.682
flat angles P-C4'-P energy: -34.179
tors. eta vs tors. theta energy: -52.378
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: 9, replica: 9
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -559.457063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.457063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.457063 (E_RNA)
where:
Base-Base interactions energy: -352.724
where: short stacking energy: -150.582
Base-Backbone interact. energy: -0.808
local terms energy: -205.924557
where:
bonds (distance) C4'-P energy: -54.943
bonds (distance) P-C4' energy: -46.038
flat angles C4'-P-C4' energy: -54.160
flat angles P-C4'-P energy: -20.691
tors. eta vs tors. theta energy: -30.091
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: 6
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -253.593168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.593168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.593168 (E_RNA)
where:
Base-Base interactions energy: -97.023
where: short stacking energy: -90.241
Base-Backbone interact. energy: 2.710
local terms energy: -159.280419
where:
bonds (distance) C4'-P energy: -34.012
bonds (distance) P-C4' energy: -51.674
flat angles C4'-P-C4' energy: -48.818
flat angles P-C4'-P energy: -26.752
tors. eta vs tors. theta energy: 1.975
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: 8
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -943.240506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.240506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.240506 (E_RNA)
where:
Base-Base interactions energy: -641.487
where: short stacking energy: -276.117
Base-Backbone interact. energy: -0.467
local terms energy: -301.286908
where:
bonds (distance) C4'-P energy: -55.124
bonds (distance) P-C4' energy: -54.052
flat angles C4'-P-C4' energy: -63.875
flat angles P-C4'-P energy: -38.228
tors. eta vs tors. theta energy: -90.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -888.699576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.699576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.699576 (E_RNA)
where:
Base-Base interactions energy: -624.060
where: short stacking energy: -261.724
Base-Backbone interact. energy: -1.297
local terms energy: -263.342251
where:
bonds (distance) C4'-P energy: -38.948
bonds (distance) P-C4' energy: -52.360
flat angles C4'-P-C4' energy: -55.071
flat angles P-C4'-P energy: -39.290
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: 1
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -850.966346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.966346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.966346 (E_RNA)
where:
Base-Base interactions energy: -580.079
where: short stacking energy: -264.121
Base-Backbone interact. energy: -0.248
local terms energy: -270.639907
where:
bonds (distance) C4'-P energy: -48.414
bonds (distance) P-C4' energy: -50.586
flat angles C4'-P-C4' energy: -57.257
flat angles P-C4'-P energy: -37.762
tors. eta vs tors. theta energy: -76.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -864.423828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.423828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.423828 (E_RNA)
where:
Base-Base interactions energy: -604.274
where: short stacking energy: -259.010
Base-Backbone interact. energy: -0.371
local terms energy: -259.779111
where:
bonds (distance) C4'-P energy: -48.709
bonds (distance) P-C4' energy: -46.214
flat angles C4'-P-C4' energy: -50.168
flat angles P-C4'-P energy: -38.080
tors. eta vs tors. theta energy: -76.609
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: 4
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -792.424914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.424914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.424914 (E_RNA)
where:
Base-Base interactions energy: -551.259
where: short stacking energy: -229.713
Base-Backbone interact. energy: -1.339
local terms energy: -239.827386
where:
bonds (distance) C4'-P energy: -45.310
bonds (distance) P-C4' energy: -43.251
flat angles C4'-P-C4' energy: -55.265
flat angles P-C4'-P energy: -38.292
tors. eta vs tors. theta energy: -57.710
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: 6, replica: 7
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -766.069465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.069465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.069465 (E_RNA)
where:
Base-Base interactions energy: -528.359
where: short stacking energy: -211.259
Base-Backbone interact. energy: -0.947
local terms energy: -236.763299
where:
bonds (distance) C4'-P energy: -44.929
bonds (distance) P-C4' energy: -52.460
flat angles C4'-P-C4' energy: -50.496
flat angles P-C4'-P energy: -40.167
tors. eta vs tors. theta energy: -48.712
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: 10
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -723.451007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.451007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.451007 (E_RNA)
where:
Base-Base interactions energy: -500.878
where: short stacking energy: -203.250
Base-Backbone interact. energy: -0.734
local terms energy: -221.839539
where:
bonds (distance) C4'-P energy: -39.871
bonds (distance) P-C4' energy: -44.007
flat angles C4'-P-C4' energy: -48.103
flat angles P-C4'-P energy: -39.142
tors. eta vs tors. theta energy: -50.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -678.483695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.483695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.483695 (E_RNA)
where:
Base-Base interactions energy: -447.902
where: short stacking energy: -179.092
Base-Backbone interact. energy: -0.641
local terms energy: -229.940473
where:
bonds (distance) C4'-P energy: -47.673
bonds (distance) P-C4' energy: -52.264
flat angles C4'-P-C4' energy: -51.993
flat angles P-C4'-P energy: -32.100
tors. eta vs tors. theta energy: -45.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -603.143831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.143831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.143831 (E_RNA)
where:
Base-Base interactions energy: -383.972
where: short stacking energy: -156.479
Base-Backbone interact. energy: -1.836
local terms energy: -217.336408
where:
bonds (distance) C4'-P energy: -38.150
bonds (distance) P-C4' energy: -49.988
flat angles C4'-P-C4' energy: -52.261
flat angles P-C4'-P energy: -34.495
tors. eta vs tors. theta energy: -42.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -215.022050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.022050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.022050 (E_RNA)
where:
Base-Base interactions energy: -84.159
where: short stacking energy: -83.901
Base-Backbone interact. energy: 3.367
local terms energy: -134.230216
where:
bonds (distance) C4'-P energy: -33.996
bonds (distance) P-C4' energy: -34.100
flat angles C4'-P-C4' energy: -33.903
flat angles P-C4'-P energy: -25.672
tors. eta vs tors. theta energy: -6.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -926.760929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.760929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.760929 (E_RNA)
where:
Base-Base interactions energy: -654.765
where: short stacking energy: -287.666
Base-Backbone interact. energy: -1.113
local terms energy: -270.882664
where:
bonds (distance) C4'-P energy: -45.100
bonds (distance) P-C4' energy: -45.627
flat angles C4'-P-C4' energy: -57.407
flat angles P-C4'-P energy: -38.081
tors. eta vs tors. theta energy: -84.668
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: 155
Temperature: 0.950000
Total energy: -890.754717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.754717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.754717 (E_RNA)
where:
Base-Base interactions energy: -630.485
where: short stacking energy: -263.085
Base-Backbone interact. energy: 0.005
local terms energy: -260.275279
where:
bonds (distance) C4'-P energy: -53.036
bonds (distance) P-C4' energy: -47.520
flat angles C4'-P-C4' energy: -57.114
flat angles P-C4'-P energy: -33.627
tors. eta vs tors. theta energy: -68.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -826.873165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.873165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.873165 (E_RNA)
where:
Base-Base interactions energy: -564.066
where: short stacking energy: -249.943
Base-Backbone interact. energy: 0.174
local terms energy: -262.980500
where:
bonds (distance) C4'-P energy: -63.748
bonds (distance) P-C4' energy: -54.934
flat angles C4'-P-C4' energy: -55.010
flat angles P-C4'-P energy: -31.521
tors. eta vs tors. theta energy: -57.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -861.879088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.879088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.879088 (E_RNA)
where:
Base-Base interactions energy: -602.183
where: short stacking energy: -235.820
Base-Backbone interact. energy: -0.300
local terms energy: -259.396124
where:
bonds (distance) C4'-P energy: -51.644
bonds (distance) P-C4' energy: -49.527
flat angles C4'-P-C4' energy: -53.631
flat angles P-C4'-P energy: -36.095
tors. eta vs tors. theta energy: -68.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -803.733072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.733072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.733072 (E_RNA)
where:
Base-Base interactions energy: -558.387
where: short stacking energy: -227.326
Base-Backbone interact. energy: -1.240
local terms energy: -244.105706
where:
bonds (distance) C4'-P energy: -45.435
bonds (distance) P-C4' energy: -43.214
flat angles C4'-P-C4' energy: -58.938
flat angles P-C4'-P energy: -37.667
tors. eta vs tors. theta energy: -58.853
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: 6, replica: 10
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -741.888528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.888528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.888528 (E_RNA)
where:
Base-Base interactions energy: -524.163
where: short stacking energy: -214.821
Base-Backbone interact. energy: -0.211
local terms energy: -217.515182
where:
bonds (distance) C4'-P energy: -45.359
bonds (distance) P-C4' energy: -40.053
flat angles C4'-P-C4' energy: -37.897
flat angles P-C4'-P energy: -32.115
tors. eta vs tors. theta energy: -62.090
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: 7
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -757.772990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.772990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.772990 (E_RNA)
where:
Base-Base interactions energy: -525.874
where: short stacking energy: -205.584
Base-Backbone interact. energy: -0.530
local terms energy: -231.369042
where:
bonds (distance) C4'-P energy: -45.316
bonds (distance) P-C4' energy: -46.534
flat angles C4'-P-C4' energy: -51.727
flat angles P-C4'-P energy: -34.671
tors. eta vs tors. theta energy: -53.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -628.876959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.876959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.876959 (E_RNA)
where:
Base-Base interactions energy: -397.091
where: short stacking energy: -167.653
Base-Backbone interact. energy: -0.237
local terms energy: -231.549075
where:
bonds (distance) C4'-P energy: -43.503
bonds (distance) P-C4' energy: -53.797
flat angles C4'-P-C4' energy: -43.249
flat angles P-C4'-P energy: -41.213
tors. eta vs tors. theta energy: -49.786
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: 3
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -630.604394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.604394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.604394 (E_RNA)
where:
Base-Base interactions energy: -423.161
where: short stacking energy: -167.092
Base-Backbone interact. energy: 0.086
local terms energy: -207.528978
where:
bonds (distance) C4'-P energy: -41.948
bonds (distance) P-C4' energy: -50.723
flat angles C4'-P-C4' energy: -51.647
flat angles P-C4'-P energy: -19.494
tors. eta vs tors. theta energy: -43.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -218.646984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.646984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.646984 (E_RNA)
where:
Base-Base interactions energy: -82.453
where: short stacking energy: -62.316
Base-Backbone interact. energy: -0.427
local terms energy: -135.766496
where:
bonds (distance) C4'-P energy: -36.031
bonds (distance) P-C4' energy: -48.540
flat angles C4'-P-C4' energy: -41.051
flat angles P-C4'-P energy: -15.934
tors. eta vs tors. theta energy: 5.790
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: 8
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -940.251166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.251166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.251166 (E_RNA)
where:
Base-Base interactions energy: -651.295
where: short stacking energy: -275.313
Base-Backbone interact. energy: 0.840
local terms energy: -289.796513
where:
bonds (distance) C4'-P energy: -46.822
bonds (distance) P-C4' energy: -57.511
flat angles C4'-P-C4' energy: -61.319
flat angles P-C4'-P energy: -38.047
tors. eta vs tors. theta energy: -86.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -896.079872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.079872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.079872 (E_RNA)
where:
Base-Base interactions energy: -623.639
where: short stacking energy: -257.430
Base-Backbone interact. energy: -0.265
local terms energy: -272.176111
where:
bonds (distance) C4'-P energy: -52.105
bonds (distance) P-C4' energy: -48.949
flat angles C4'-P-C4' energy: -65.240
flat angles P-C4'-P energy: -37.280
tors. eta vs tors. theta energy: -68.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -884.541235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.541235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.541235 (E_RNA)
where:
Base-Base interactions energy: -613.393
where: short stacking energy: -256.404
Base-Backbone interact. energy: -0.991
local terms energy: -270.156795
where:
bonds (distance) C4'-P energy: -45.047
bonds (distance) P-C4' energy: -54.127
flat angles C4'-P-C4' energy: -54.006
flat angles P-C4'-P energy: -41.977
tors. eta vs tors. theta energy: -75.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -839.806575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.806575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.806575 (E_RNA)
where:
Base-Base interactions energy: -559.177
where: short stacking energy: -261.509
Base-Backbone interact. energy: -0.110
local terms energy: -280.520139
where:
bonds (distance) C4'-P energy: -54.302
bonds (distance) P-C4' energy: -55.215
flat angles C4'-P-C4' energy: -61.075
flat angles P-C4'-P energy: -38.552
tors. eta vs tors. theta energy: -71.376
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: 5, replica: 4
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -810.255090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.255090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.255090 (E_RNA)
where:
Base-Base interactions energy: -567.222
where: short stacking energy: -227.777
Base-Backbone interact. energy: -0.837
local terms energy: -242.195972
where:
bonds (distance) C4'-P energy: -50.678
bonds (distance) P-C4' energy: -37.461
flat angles C4'-P-C4' energy: -54.755
flat angles P-C4'-P energy: -38.047
tors. eta vs tors. theta energy: -61.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -758.313810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.313810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.313810 (E_RNA)
where:
Base-Base interactions energy: -524.447
where: short stacking energy: -213.736
Base-Backbone interact. energy: -0.412
local terms energy: -233.454403
where:
bonds (distance) C4'-P energy: -44.470
bonds (distance) P-C4' energy: -49.299
flat angles C4'-P-C4' energy: -49.675
flat angles P-C4'-P energy: -36.813
tors. eta vs tors. theta energy: -53.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -773.807566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.807566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.807566 (E_RNA)
where:
Base-Base interactions energy: -530.800
where: short stacking energy: -228.775
Base-Backbone interact. energy: -0.431
local terms energy: -242.576043
where:
bonds (distance) C4'-P energy: -49.361
bonds (distance) P-C4' energy: -45.984
flat angles C4'-P-C4' energy: -53.286
flat angles P-C4'-P energy: -37.597
tors. eta vs tors. theta energy: -56.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -654.065061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.065061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.065061 (E_RNA)
where:
Base-Base interactions energy: -446.784
where: short stacking energy: -186.069
Base-Backbone interact. energy: 5.991
local terms energy: -213.272236
where:
bonds (distance) C4'-P energy: -43.985
bonds (distance) P-C4' energy: -47.573
flat angles C4'-P-C4' energy: -47.910
flat angles P-C4'-P energy: -29.913
tors. eta vs tors. theta energy: -43.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -638.347104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.347104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.347104 (E_RNA)
where:
Base-Base interactions energy: -422.409
where: short stacking energy: -164.889
Base-Backbone interact. energy: -0.516
local terms energy: -215.422324
where:
bonds (distance) C4'-P energy: -53.231
bonds (distance) P-C4' energy: -45.149
flat angles C4'-P-C4' energy: -56.178
flat angles P-C4'-P energy: -26.369
tors. eta vs tors. theta energy: -34.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -218.427770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.427770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.427770 (E_RNA)
where:
Base-Base interactions energy: -86.684
where: short stacking energy: -81.877
Base-Backbone interact. energy: 0.528
local terms energy: -132.271739
where:
bonds (distance) C4'-P energy: -41.286
bonds (distance) P-C4' energy: -38.632
flat angles C4'-P-C4' energy: -41.290
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -1.670
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: 8
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -944.882760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.882760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.882760 (E_RNA)
where:
Base-Base interactions energy: -655.902
where: short stacking energy: -278.030
Base-Backbone interact. energy: -0.810
local terms energy: -288.170718
where:
bonds (distance) C4'-P energy: -49.143
bonds (distance) P-C4' energy: -56.341
flat angles C4'-P-C4' energy: -61.234
flat angles P-C4'-P energy: -43.525
tors. eta vs tors. theta energy: -77.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -918.397798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.397798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.397798 (E_RNA)
where:
Base-Base interactions energy: -642.905
where: short stacking energy: -278.452
Base-Backbone interact. energy: 0.616
local terms energy: -276.108651
where:
bonds (distance) C4'-P energy: -51.118
bonds (distance) P-C4' energy: -51.072
flat angles C4'-P-C4' energy: -57.089
flat angles P-C4'-P energy: -40.736
tors. eta vs tors. theta energy: -76.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -876.538914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.538914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.538914 (E_RNA)
where:
Base-Base interactions energy: -608.838
where: short stacking energy: -246.671
Base-Backbone interact. energy: -0.890
local terms energy: -266.811311
where:
bonds (distance) C4'-P energy: -56.287
bonds (distance) P-C4' energy: -52.487
flat angles C4'-P-C4' energy: -54.425
flat angles P-C4'-P energy: -35.077
tors. eta vs tors. theta energy: -68.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -852.009672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.009672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.009672 (E_RNA)
where:
Base-Base interactions energy: -580.711
where: short stacking energy: -253.385
Base-Backbone interact. energy: 0.331
local terms energy: -271.630141
where:
bonds (distance) C4'-P energy: -56.138
bonds (distance) P-C4' energy: -46.667
flat angles C4'-P-C4' energy: -58.524
flat angles P-C4'-P energy: -38.167
tors. eta vs tors. theta energy: -72.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -813.495842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.495842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.495842 (E_RNA)
where:
Base-Base interactions energy: -552.413
where: short stacking energy: -240.595
Base-Backbone interact. energy: 2.519
local terms energy: -263.602250
where:
bonds (distance) C4'-P energy: -45.893
bonds (distance) P-C4' energy: -50.942
flat angles C4'-P-C4' energy: -55.235
flat angles P-C4'-P energy: -40.964
tors. eta vs tors. theta energy: -70.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -794.983650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.983650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.983650 (E_RNA)
where:
Base-Base interactions energy: -535.278
where: short stacking energy: -218.060
Base-Backbone interact. energy: 2.399
local terms energy: -262.105009
where:
bonds (distance) C4'-P energy: -51.432
bonds (distance) P-C4' energy: -52.142
flat angles C4'-P-C4' energy: -51.708
flat angles P-C4'-P energy: -40.979
tors. eta vs tors. theta energy: -65.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -729.405726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.405726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.405726 (E_RNA)
where:
Base-Base interactions energy: -502.796
where: short stacking energy: -199.747
Base-Backbone interact. energy: -0.374
local terms energy: -226.234917
where:
bonds (distance) C4'-P energy: -38.517
bonds (distance) P-C4' energy: -46.343
flat angles C4'-P-C4' energy: -56.587
flat angles P-C4'-P energy: -32.378
tors. eta vs tors. theta energy: -52.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -686.259527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.259527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.259527 (E_RNA)
where:
Base-Base interactions energy: -479.167
where: short stacking energy: -198.330
Base-Backbone interact. energy: -0.798
local terms energy: -206.294382
where:
bonds (distance) C4'-P energy: -40.458
bonds (distance) P-C4' energy: -33.113
flat angles C4'-P-C4' energy: -44.353
flat angles P-C4'-P energy: -36.766
tors. eta vs tors. theta energy: -51.604
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: 157
Temperature: 1.300000
Total energy: -609.946318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.946318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.946318 (E_RNA)
where:
Base-Base interactions energy: -423.839
where: short stacking energy: -173.208
Base-Backbone interact. energy: -0.901
local terms energy: -185.206379
where:
bonds (distance) C4'-P energy: -38.526
bonds (distance) P-C4' energy: -43.571
flat angles C4'-P-C4' energy: -40.613
flat angles P-C4'-P energy: -23.846
tors. eta vs tors. theta energy: -38.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -236.814823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.814823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.814823 (E_RNA)
where:
Base-Base interactions energy: -87.536
where: short stacking energy: -70.726
Base-Backbone interact. energy: -0.337
local terms energy: -148.941796
where:
bonds (distance) C4'-P energy: -52.295
bonds (distance) P-C4' energy: -43.048
flat angles C4'-P-C4' energy: -22.638
flat angles P-C4'-P energy: -27.071
tors. eta vs tors. theta energy: -3.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -937.743933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.743933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.743933 (E_RNA)
where:
Base-Base interactions energy: -653.276
where: short stacking energy: -281.500
Base-Backbone interact. energy: 0.629
local terms energy: -285.096831
where:
bonds (distance) C4'-P energy: -52.633
bonds (distance) P-C4' energy: -55.026
flat angles C4'-P-C4' energy: -57.840
flat angles P-C4'-P energy: -33.812
tors. eta vs tors. theta energy: -85.786
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: 2, replica: 8
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -939.456763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.456763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.456763 (E_RNA)
where:
Base-Base interactions energy: -648.007
where: short stacking energy: -274.706
Base-Backbone interact. energy: -1.969
local terms energy: -289.481024
where:
bonds (distance) C4'-P energy: -47.387
bonds (distance) P-C4' energy: -52.333
flat angles C4'-P-C4' energy: -58.234
flat angles P-C4'-P energy: -47.326
tors. eta vs tors. theta energy: -84.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -878.409452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.409452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.409452 (E_RNA)
where:
Base-Base interactions energy: -591.514
where: short stacking energy: -262.668
Base-Backbone interact. energy: -0.388
local terms energy: -286.508212
where:
bonds (distance) C4'-P energy: -51.357
bonds (distance) P-C4' energy: -55.299
flat angles C4'-P-C4' energy: -55.255
flat angles P-C4'-P energy: -46.248
tors. eta vs tors. theta energy: -78.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -854.050506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.050506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.050506 (E_RNA)
where:
Base-Base interactions energy: -594.310
where: short stacking energy: -238.591
Base-Backbone interact. energy: 1.082
local terms energy: -260.821815
where:
bonds (distance) C4'-P energy: -48.638
bonds (distance) P-C4' energy: -46.259
flat angles C4'-P-C4' energy: -59.468
flat angles P-C4'-P energy: -42.118
tors. eta vs tors. theta energy: -64.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -791.119696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.119696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.119696 (E_RNA)
where:
Base-Base interactions energy: -540.262
where: short stacking energy: -223.324
Base-Backbone interact. energy: -1.392
local terms energy: -249.466262
where:
bonds (distance) C4'-P energy: -40.445
bonds (distance) P-C4' energy: -44.421
flat angles C4'-P-C4' energy: -57.508
flat angles P-C4'-P energy: -43.810
tors. eta vs tors. theta energy: -63.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -797.375266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.375266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.375266 (E_RNA)
where:
Base-Base interactions energy: -564.208
where: short stacking energy: -238.798
Base-Backbone interact. energy: -1.957
local terms energy: -231.210116
where:
bonds (distance) C4'-P energy: -41.594
bonds (distance) P-C4' energy: -42.500
flat angles C4'-P-C4' energy: -47.539
flat angles P-C4'-P energy: -33.230
tors. eta vs tors. theta energy: -66.347
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: 7, replica: 10
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -714.558778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.558778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.558778 (E_RNA)
where:
Base-Base interactions energy: -496.714
where: short stacking energy: -202.955
Base-Backbone interact. energy: 4.876
local terms energy: -222.720093
where:
bonds (distance) C4'-P energy: -42.978
bonds (distance) P-C4' energy: -40.825
flat angles C4'-P-C4' energy: -53.669
flat angles P-C4'-P energy: -33.944
tors. eta vs tors. theta energy: -51.304
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: 3
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -684.650841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.650841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.650841 (E_RNA)
where:
Base-Base interactions energy: -457.823
where: short stacking energy: -179.704
Base-Backbone interact. energy: -1.213
local terms energy: -225.614760
where:
bonds (distance) C4'-P energy: -52.404
bonds (distance) P-C4' energy: -37.510
flat angles C4'-P-C4' energy: -47.675
flat angles P-C4'-P energy: -32.819
tors. eta vs tors. theta energy: -55.206
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: 9
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -609.099784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.099784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.099784 (E_RNA)
where:
Base-Base interactions energy: -428.733
where: short stacking energy: -180.606
Base-Backbone interact. energy: 0.463
local terms energy: -180.830429
where:
bonds (distance) C4'-P energy: -30.897
bonds (distance) P-C4' energy: -42.735
flat angles C4'-P-C4' energy: -39.557
flat angles P-C4'-P energy: -21.106
tors. eta vs tors. theta energy: -46.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -232.694716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.694716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.694716 (E_RNA)
where:
Base-Base interactions energy: -91.421
where: short stacking energy: -61.251
Base-Backbone interact. energy: 1.098
local terms energy: -142.371951
where:
bonds (distance) C4'-P energy: -50.394
bonds (distance) P-C4' energy: -45.343
flat angles C4'-P-C4' energy: -33.887
flat angles P-C4'-P energy: -22.827
tors. eta vs tors. theta energy: 10.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -943.784272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.784272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.784272 (E_RNA)
where:
Base-Base interactions energy: -661.361
where: short stacking energy: -276.519
Base-Backbone interact. energy: -2.060
local terms energy: -280.363134
where:
bonds (distance) C4'-P energy: -53.740
bonds (distance) P-C4' energy: -48.188
flat angles C4'-P-C4' energy: -62.148
flat angles P-C4'-P energy: -35.258
tors. eta vs tors. theta energy: -81.029
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: 8
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -940.556806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.556806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.556806 (E_RNA)
where:
Base-Base interactions energy: -657.649
where: short stacking energy: -281.088
Base-Backbone interact. energy: -0.004
local terms energy: -282.903394
where:
bonds (distance) C4'-P energy: -46.651
bonds (distance) P-C4' energy: -56.019
flat angles C4'-P-C4' energy: -63.970
flat angles P-C4'-P energy: -36.245
tors. eta vs tors. theta energy: -80.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -869.015661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.015661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.015661 (E_RNA)
where:
Base-Base interactions energy: -590.192
where: short stacking energy: -261.779
Base-Backbone interact. energy: -0.788
local terms energy: -278.035583
where:
bonds (distance) C4'-P energy: -55.363
bonds (distance) P-C4' energy: -42.746
flat angles C4'-P-C4' energy: -61.143
flat angles P-C4'-P energy: -41.623
tors. eta vs tors. theta energy: -77.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -873.356974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.356974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.356974 (E_RNA)
where:
Base-Base interactions energy: -619.395
where: short stacking energy: -253.733
Base-Backbone interact. energy: -1.182
local terms energy: -252.779441
where:
bonds (distance) C4'-P energy: -37.108
bonds (distance) P-C4' energy: -46.472
flat angles C4'-P-C4' energy: -53.880
flat angles P-C4'-P energy: -36.485
tors. eta vs tors. theta energy: -78.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -807.200002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.200002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.200002 (E_RNA)
where:
Base-Base interactions energy: -549.375
where: short stacking energy: -228.633
Base-Backbone interact. energy: -0.650
local terms energy: -257.174871
where:
bonds (distance) C4'-P energy: -39.379
bonds (distance) P-C4' energy: -54.940
flat angles C4'-P-C4' energy: -54.767
flat angles P-C4'-P energy: -37.934
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: 6, replica: 4
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -812.211932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.211932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.211932 (E_RNA)
where:
Base-Base interactions energy: -565.491
where: short stacking energy: -249.035
Base-Backbone interact. energy: 0.379
local terms energy: -247.100409
where:
bonds (distance) C4'-P energy: -48.339
bonds (distance) P-C4' energy: -39.436
flat angles C4'-P-C4' energy: -58.790
flat angles P-C4'-P energy: -27.980
tors. eta vs tors. theta energy: -72.556
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: 10
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -710.787858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.787858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.787858 (E_RNA)
where:
Base-Base interactions energy: -499.628
where: short stacking energy: -202.409
Base-Backbone interact. energy: -1.135
local terms energy: -210.025463
where:
bonds (distance) C4'-P energy: -35.622
bonds (distance) P-C4' energy: -45.642
flat angles C4'-P-C4' energy: -37.410
flat angles P-C4'-P energy: -35.145
tors. eta vs tors. theta energy: -56.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -657.097292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.097292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.097292 (E_RNA)
where:
Base-Base interactions energy: -437.680
where: short stacking energy: -178.865
Base-Backbone interact. energy: -0.968
local terms energy: -218.448914
where:
bonds (distance) C4'-P energy: -41.835
bonds (distance) P-C4' energy: -57.216
flat angles C4'-P-C4' energy: -54.392
flat angles P-C4'-P energy: -22.572
tors. eta vs tors. theta energy: -42.433
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: 9, replica: 9
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -647.445799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.445799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.445799 (E_RNA)
where:
Base-Base interactions energy: -440.485
where: short stacking energy: -171.156
Base-Backbone interact. energy: 1.133
local terms energy: -208.093999
where:
bonds (distance) C4'-P energy: -30.200
bonds (distance) P-C4' energy: -47.228
flat angles C4'-P-C4' energy: -45.309
flat angles P-C4'-P energy: -30.570
tors. eta vs tors. theta energy: -54.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -225.764638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.764638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.764638 (E_RNA)
where:
Base-Base interactions energy: -76.677
where: short stacking energy: -59.935
Base-Backbone interact. energy: 0.052
local terms energy: -149.138841
where:
bonds (distance) C4'-P energy: -49.738
bonds (distance) P-C4' energy: -41.877
flat angles C4'-P-C4' energy: -36.719
flat angles P-C4'-P energy: -20.669
tors. eta vs tors. theta energy: -0.136
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: 8
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -944.221298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.221298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.221298 (E_RNA)
where:
Base-Base interactions energy: -671.093
where: short stacking energy: -287.591
Base-Backbone interact. energy: -0.977
local terms energy: -272.151127
where:
bonds (distance) C4'-P energy: -50.158
bonds (distance) P-C4' energy: -48.108
flat angles C4'-P-C4' energy: -50.215
flat angles P-C4'-P energy: -43.761
tors. eta vs tors. theta energy: -79.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -934.258027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.258027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.258027 (E_RNA)
where:
Base-Base interactions energy: -645.765
where: short stacking energy: -277.836
Base-Backbone interact. energy: -1.109
local terms energy: -287.384115
where:
bonds (distance) C4'-P energy: -53.720
bonds (distance) P-C4' energy: -53.704
flat angles C4'-P-C4' energy: -60.219
flat angles P-C4'-P energy: -39.495
tors. eta vs tors. theta energy: -80.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -910.289816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.289816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.289816 (E_RNA)
where:
Base-Base interactions energy: -635.456
where: short stacking energy: -280.650
Base-Backbone interact. energy: -1.384
local terms energy: -273.450165
where:
bonds (distance) C4'-P energy: -38.874
bonds (distance) P-C4' energy: -51.867
flat angles C4'-P-C4' energy: -65.942
flat angles P-C4'-P energy: -39.196
tors. eta vs tors. theta energy: -77.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -835.766786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.766786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.766786 (E_RNA)
where:
Base-Base interactions energy: -589.296
where: short stacking energy: -251.502
Base-Backbone interact. energy: -0.392
local terms energy: -246.078616
where:
bonds (distance) C4'-P energy: -42.768
bonds (distance) P-C4' energy: -41.984
flat angles C4'-P-C4' energy: -53.774
flat angles P-C4'-P energy: -38.796
tors. eta vs tors. theta energy: -68.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -822.247428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.247428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.247428 (E_RNA)
where:
Base-Base interactions energy: -557.244
where: short stacking energy: -226.518
Base-Backbone interact. energy: -0.673
local terms energy: -264.330380
where:
bonds (distance) C4'-P energy: -55.850
bonds (distance) P-C4' energy: -50.740
flat angles C4'-P-C4' energy: -51.703
flat angles P-C4'-P energy: -42.303
tors. eta vs tors. theta energy: -63.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -792.464439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.464439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.464439 (E_RNA)
where:
Base-Base interactions energy: -550.713
where: short stacking energy: -228.015
Base-Backbone interact. energy: -1.363
local terms energy: -240.388559
where:
bonds (distance) C4'-P energy: -55.162
bonds (distance) P-C4' energy: -41.689
flat angles C4'-P-C4' energy: -54.736
flat angles P-C4'-P energy: -29.466
tors. eta vs tors. theta energy: -59.335
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: 160
Temperature: 1.200000
Total energy: -698.733045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.733045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.733045 (E_RNA)
where:
Base-Base interactions energy: -473.239
where: short stacking energy: -199.693
Base-Backbone interact. energy: 1.324
local terms energy: -226.817710
where:
bonds (distance) C4'-P energy: -44.390
bonds (distance) P-C4' energy: -44.848
flat angles C4'-P-C4' energy: -49.117
flat angles P-C4'-P energy: -36.348
tors. eta vs tors. theta energy: -52.116
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: 3
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -648.047419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.047419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.047419 (E_RNA)
where:
Base-Base interactions energy: -452.914
where: short stacking energy: -193.862
Base-Backbone interact. energy: -1.676
local terms energy: -193.457857
where:
bonds (distance) C4'-P energy: -46.847
bonds (distance) P-C4' energy: -39.949
flat angles C4'-P-C4' energy: -40.028
flat angles P-C4'-P energy: -20.649
tors. eta vs tors. theta energy: -45.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -629.761886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.761886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.761886 (E_RNA)
where:
Base-Base interactions energy: -421.497
where: short stacking energy: -184.191
Base-Backbone interact. energy: -0.420
local terms energy: -207.845221
where:
bonds (distance) C4'-P energy: -38.137
bonds (distance) P-C4' energy: -44.355
flat angles C4'-P-C4' energy: -52.177
flat angles P-C4'-P energy: -34.279
tors. eta vs tors. theta energy: -38.898
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: 6
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -220.227418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.227418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.227418 (E_RNA)
where:
Base-Base interactions energy: -88.304
where: short stacking energy: -84.669
Base-Backbone interact. energy: -1.008
local terms energy: -130.915847
where:
bonds (distance) C4'-P energy: -40.955
bonds (distance) P-C4' energy: -46.725
flat angles C4'-P-C4' energy: -16.515
flat angles P-C4'-P energy: -27.781
tors. eta vs tors. theta energy: 1.061
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: 8
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -936.352986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.352986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.352986 (E_RNA)
where:
Base-Base interactions energy: -644.009
where: short stacking energy: -266.055
Base-Backbone interact. energy: -1.085
local terms energy: -291.258781
where:
bonds (distance) C4'-P energy: -55.333
bonds (distance) P-C4' energy: -53.854
flat angles C4'-P-C4' energy: -60.580
flat angles P-C4'-P energy: -43.013
tors. eta vs tors. theta energy: -78.480
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: 5
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -948.546975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.546975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.546975 (E_RNA)
where:
Base-Base interactions energy: -671.096
where: short stacking energy: -294.644
Base-Backbone interact. energy: 0.678
local terms energy: -278.128822
where:
bonds (distance) C4'-P energy: -46.407
bonds (distance) P-C4' energy: -50.429
flat angles C4'-P-C4' energy: -60.890
flat angles P-C4'-P energy: -40.519
tors. eta vs tors. theta energy: -79.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -917.222760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.222760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.222760 (E_RNA)
where:
Base-Base interactions energy: -645.007
where: short stacking energy: -272.183
Base-Backbone interact. energy: 0.175
local terms energy: -272.390881
where:
bonds (distance) C4'-P energy: -46.614
bonds (distance) P-C4' energy: -56.063
flat angles C4'-P-C4' energy: -55.709
flat angles P-C4'-P energy: -33.801
tors. eta vs tors. theta energy: -80.205
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: 161
Temperature: 1.050000
Total energy: -860.470713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.470713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.470713 (E_RNA)
where:
Base-Base interactions energy: -586.517
where: short stacking energy: -255.689
Base-Backbone interact. energy: -1.123
local terms energy: -272.830911
where:
bonds (distance) C4'-P energy: -44.876
bonds (distance) P-C4' energy: -56.049
flat angles C4'-P-C4' energy: -57.914
flat angles P-C4'-P energy: -40.709
tors. eta vs tors. theta energy: -73.283
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: 5, replica: 7
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -817.575026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.575026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.575026 (E_RNA)
where:
Base-Base interactions energy: -557.052
where: short stacking energy: -243.127
Base-Backbone interact. energy: -1.208
local terms energy: -259.315122
where:
bonds (distance) C4'-P energy: -44.896
bonds (distance) P-C4' energy: -52.976
flat angles C4'-P-C4' energy: -55.437
flat angles P-C4'-P energy: -32.957
tors. eta vs tors. theta energy: -73.049
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: 4
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -774.913877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.913877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.913877 (E_RNA)
where:
Base-Base interactions energy: -526.719
where: short stacking energy: -220.878
Base-Backbone interact. energy: -1.348
local terms energy: -246.847066
where:
bonds (distance) C4'-P energy: -46.139
bonds (distance) P-C4' energy: -39.512
flat angles C4'-P-C4' energy: -52.497
flat angles P-C4'-P energy: -45.620
tors. eta vs tors. theta energy: -63.079
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: 7, replica: 10
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -711.130866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.130866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.130866 (E_RNA)
where:
Base-Base interactions energy: -482.390
where: short stacking energy: -196.426
Base-Backbone interact. energy: 0.153
local terms energy: -228.893511
where:
bonds (distance) C4'-P energy: -51.080
bonds (distance) P-C4' energy: -46.187
flat angles C4'-P-C4' energy: -46.016
flat angles P-C4'-P energy: -22.863
tors. eta vs tors. theta energy: -62.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -636.912487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.912487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.912487 (E_RNA)
where:
Base-Base interactions energy: -429.421
where: short stacking energy: -183.613
Base-Backbone interact. energy: -1.179
local terms energy: -206.313029
where:
bonds (distance) C4'-P energy: -47.027
bonds (distance) P-C4' energy: -37.466
flat angles C4'-P-C4' energy: -52.469
flat angles P-C4'-P energy: -22.326
tors. eta vs tors. theta energy: -47.026
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: 3
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -671.379690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.379690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.379690 (E_RNA)
where:
Base-Base interactions energy: -452.596
where: short stacking energy: -183.756
Base-Backbone interact. energy: -1.760
local terms energy: -217.024374
where:
bonds (distance) C4'-P energy: -31.164
bonds (distance) P-C4' energy: -51.277
flat angles C4'-P-C4' energy: -52.992
flat angles P-C4'-P energy: -33.695
tors. eta vs tors. theta energy: -47.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -230.356647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.356647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.356647 (E_RNA)
where:
Base-Base interactions energy: -87.040
where: short stacking energy: -78.821
Base-Backbone interact. energy: 3.762
local terms energy: -147.078039
where:
bonds (distance) C4'-P energy: -48.173
bonds (distance) P-C4' energy: -49.213
flat angles C4'-P-C4' energy: -28.025
flat angles P-C4'-P energy: -28.106
tors. eta vs tors. theta energy: 6.439
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: 8
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -927.720419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.720419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.720419 (E_RNA)
where:
Base-Base interactions energy: -622.103
where: short stacking energy: -269.911
Base-Backbone interact. energy: -1.596
local terms energy: -304.021479
where:
bonds (distance) C4'-P energy: -65.765
bonds (distance) P-C4' energy: -52.644
flat angles C4'-P-C4' energy: -60.081
flat angles P-C4'-P energy: -45.274
tors. eta vs tors. theta energy: -80.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -934.454109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.454109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.454109 (E_RNA)
where:
Base-Base interactions energy: -643.649
where: short stacking energy: -262.234
Base-Backbone interact. energy: 3.006
local terms energy: -293.810778
where:
bonds (distance) C4'-P energy: -60.731
bonds (distance) P-C4' energy: -48.427
flat angles C4'-P-C4' energy: -59.395
flat angles P-C4'-P energy: -48.337
tors. eta vs tors. theta energy: -76.921
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: 2
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -914.299661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.299661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.299661 (E_RNA)
where:
Base-Base interactions energy: -633.323
where: short stacking energy: -262.432
Base-Backbone interact. energy: -3.454
local terms energy: -277.522844
where:
bonds (distance) C4'-P energy: -54.174
bonds (distance) P-C4' energy: -49.230
flat angles C4'-P-C4' energy: -57.753
flat angles P-C4'-P energy: -39.680
tors. eta vs tors. theta energy: -76.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -849.607919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.607919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.607919 (E_RNA)
where:
Base-Base interactions energy: -583.178
where: short stacking energy: -273.311
Base-Backbone interact. energy: 1.907
local terms energy: -268.337166
where:
bonds (distance) C4'-P energy: -33.605
bonds (distance) P-C4' energy: -52.925
flat angles C4'-P-C4' energy: -58.757
flat angles P-C4'-P energy: -42.333
tors. eta vs tors. theta energy: -80.718
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: 4
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -798.774767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.774767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.774767 (E_RNA)
where:
Base-Base interactions energy: -542.951
where: short stacking energy: -241.939
Base-Backbone interact. energy: -0.946
local terms energy: -254.878211
where:
bonds (distance) C4'-P energy: -50.401
bonds (distance) P-C4' energy: -49.777
flat angles C4'-P-C4' energy: -51.218
flat angles P-C4'-P energy: -36.288
tors. eta vs tors. theta energy: -67.195
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: 162
Temperature: 1.150000
Total energy: -790.919155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.919155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.919155 (E_RNA)
where:
Base-Base interactions energy: -539.599
where: short stacking energy: -225.278
Base-Backbone interact. energy: -0.428
local terms energy: -250.891953
where:
bonds (distance) C4'-P energy: -48.773
bonds (distance) P-C4' energy: -45.267
flat angles C4'-P-C4' energy: -53.193
flat angles P-C4'-P energy: -42.078
tors. eta vs tors. theta energy: -61.581
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: 162
Temperature: 1.200000
Total energy: -741.637785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.637785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.637785 (E_RNA)
where:
Base-Base interactions energy: -510.226
where: short stacking energy: -201.884
Base-Backbone interact. energy: -1.355
local terms energy: -230.057191
where:
bonds (distance) C4'-P energy: -47.278
bonds (distance) P-C4' energy: -48.134
flat angles C4'-P-C4' energy: -45.546
flat angles P-C4'-P energy: -32.571
tors. eta vs tors. theta energy: -56.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -624.464025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.464025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.464025 (E_RNA)
where:
Base-Base interactions energy: -405.651
where: short stacking energy: -174.544
Base-Backbone interact. energy: -0.410
local terms energy: -218.403052
where:
bonds (distance) C4'-P energy: -38.685
bonds (distance) P-C4' energy: -48.158
flat angles C4'-P-C4' energy: -45.485
flat angles P-C4'-P energy: -40.757
tors. eta vs tors. theta energy: -45.318
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: 9, replica: 3
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -659.529613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.529613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.529613 (E_RNA)
where:
Base-Base interactions energy: -447.623
where: short stacking energy: -182.856
Base-Backbone interact. energy: -0.940
local terms energy: -210.967379
where:
bonds (distance) C4'-P energy: -39.831
bonds (distance) P-C4' energy: -41.975
flat angles C4'-P-C4' energy: -47.085
flat angles P-C4'-P energy: -29.753
tors. eta vs tors. theta energy: -52.324
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: 6
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -226.377006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.377006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.377006 (E_RNA)
where:
Base-Base interactions energy: -71.497
where: short stacking energy: -61.921
Base-Backbone interact. energy: -1.277
local terms energy: -153.602526
where:
bonds (distance) C4'-P energy: -51.360
bonds (distance) P-C4' energy: -34.136
flat angles C4'-P-C4' energy: -33.145
flat angles P-C4'-P energy: -30.108
tors. eta vs tors. theta energy: -4.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -962.407909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.407909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.407909 (E_RNA)
where:
Base-Base interactions energy: -666.556
where: short stacking energy: -274.241
Base-Backbone interact. energy: -0.804
local terms energy: -295.047321
where:
bonds (distance) C4'-P energy: -50.631
bonds (distance) P-C4' energy: -53.576
flat angles C4'-P-C4' energy: -59.874
flat angles P-C4'-P energy: -46.285
tors. eta vs tors. theta energy: -84.680
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: 2, replica: 5
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -934.638622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.638622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.638622 (E_RNA)
where:
Base-Base interactions energy: -650.389
where: short stacking energy: -274.933
Base-Backbone interact. energy: -0.911
local terms energy: -283.338634
where:
bonds (distance) C4'-P energy: -51.430
bonds (distance) P-C4' energy: -49.159
flat angles C4'-P-C4' energy: -61.707
flat angles P-C4'-P energy: -41.391
tors. eta vs tors. theta energy: -79.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -920.021062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.021062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.021062 (E_RNA)
where:
Base-Base interactions energy: -622.819
where: short stacking energy: -261.659
Base-Backbone interact. energy: -0.615
local terms energy: -296.586754
where:
bonds (distance) C4'-P energy: -50.192
bonds (distance) P-C4' energy: -51.546
flat angles C4'-P-C4' energy: -60.737
flat angles P-C4'-P energy: -46.822
tors. eta vs tors. theta energy: -87.289
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: 1
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -856.618797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.618797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.618797 (E_RNA)
where:
Base-Base interactions energy: -588.739
where: short stacking energy: -257.924
Base-Backbone interact. energy: -0.707
local terms energy: -267.172406
where:
bonds (distance) C4'-P energy: -47.753
bonds (distance) P-C4' energy: -39.867
flat angles C4'-P-C4' energy: -60.802
flat angles P-C4'-P energy: -39.735
tors. eta vs tors. theta energy: -79.015
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: 4
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -809.776969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.776969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.776969 (E_RNA)
where:
Base-Base interactions energy: -561.783
where: short stacking energy: -233.136
Base-Backbone interact. energy: -0.660
local terms energy: -247.333257
where:
bonds (distance) C4'-P energy: -48.340
bonds (distance) P-C4' energy: -39.816
flat angles C4'-P-C4' energy: -56.420
flat angles P-C4'-P energy: -35.362
tors. eta vs tors. theta energy: -67.395
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: 10
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -772.142184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.142184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.142184 (E_RNA)
where:
Base-Base interactions energy: -540.086
where: short stacking energy: -222.807
Base-Backbone interact. energy: -1.159
local terms energy: -230.897097
where:
bonds (distance) C4'-P energy: -45.918
bonds (distance) P-C4' energy: -44.708
flat angles C4'-P-C4' energy: -48.281
flat angles P-C4'-P energy: -28.152
tors. eta vs tors. theta energy: -63.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -764.484605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.484605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.484605 (E_RNA)
where:
Base-Base interactions energy: -538.114
where: short stacking energy: -212.925
Base-Backbone interact. energy: 0.210
local terms energy: -226.579841
where:
bonds (distance) C4'-P energy: -47.703
bonds (distance) P-C4' energy: -42.838
flat angles C4'-P-C4' energy: -42.728
flat angles P-C4'-P energy: -35.022
tors. eta vs tors. theta energy: -58.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -653.276409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.276409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.276409 (E_RNA)
where:
Base-Base interactions energy: -434.705
where: short stacking energy: -177.519
Base-Backbone interact. energy: 0.520
local terms energy: -219.090651
where:
bonds (distance) C4'-P energy: -42.003
bonds (distance) P-C4' energy: -54.667
flat angles C4'-P-C4' energy: -42.992
flat angles P-C4'-P energy: -32.074
tors. eta vs tors. theta energy: -47.354
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: 3
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -600.124322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.124322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.124322 (E_RNA)
where:
Base-Base interactions energy: -410.647
where: short stacking energy: -164.450
Base-Backbone interact. energy: -1.409
local terms energy: -188.067724
where:
bonds (distance) C4'-P energy: -37.395
bonds (distance) P-C4' energy: -44.643
flat angles C4'-P-C4' energy: -37.976
flat angles P-C4'-P energy: -29.459
tors. eta vs tors. theta energy: -38.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -272.373607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.373607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.373607 (E_RNA)
where:
Base-Base interactions energy: -125.613
where: short stacking energy: -81.939
Base-Backbone interact. energy: -1.233
local terms energy: -145.527756
where:
bonds (distance) C4'-P energy: -33.689
bonds (distance) P-C4' energy: -39.766
flat angles C4'-P-C4' energy: -41.601
flat angles P-C4'-P energy: -25.817
tors. eta vs tors. theta energy: -4.653
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: 8
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -961.516393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.516393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.516393 (E_RNA)
where:
Base-Base interactions energy: -654.381
where: short stacking energy: -278.663
Base-Backbone interact. energy: -0.513
local terms energy: -306.622731
where:
bonds (distance) C4'-P energy: -56.921
bonds (distance) P-C4' energy: -54.980
flat angles C4'-P-C4' energy: -64.366
flat angles P-C4'-P energy: -46.817
tors. eta vs tors. theta energy: -83.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -917.176864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.176864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.176864 (E_RNA)
where:
Base-Base interactions energy: -658.330
where: short stacking energy: -273.211
Base-Backbone interact. energy: -1.181
local terms energy: -257.665599
where:
bonds (distance) C4'-P energy: -52.648
bonds (distance) P-C4' energy: -45.541
flat angles C4'-P-C4' energy: -56.174
flat angles P-C4'-P energy: -26.917
tors. eta vs tors. theta energy: -76.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -934.771467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.771467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.771467 (E_RNA)
where:
Base-Base interactions energy: -645.932
where: short stacking energy: -264.895
Base-Backbone interact. energy: -1.163
local terms energy: -287.676754
where:
bonds (distance) C4'-P energy: -54.417
bonds (distance) P-C4' energy: -50.888
flat angles C4'-P-C4' energy: -62.497
flat angles P-C4'-P energy: -37.961
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: 4, replica: 1
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -858.804205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.804205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.804205 (E_RNA)
where:
Base-Base interactions energy: -587.923
where: short stacking energy: -277.113
Base-Backbone interact. energy: -1.287
local terms energy: -269.594157
where:
bonds (distance) C4'-P energy: -44.848
bonds (distance) P-C4' energy: -49.555
flat angles C4'-P-C4' energy: -56.959
flat angles P-C4'-P energy: -37.154
tors. eta vs tors. theta energy: -81.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -823.677390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.677390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.677390 (E_RNA)
where:
Base-Base interactions energy: -557.437
where: short stacking energy: -218.704
Base-Backbone interact. energy: -2.229
local terms energy: -264.011962
where:
bonds (distance) C4'-P energy: -37.637
bonds (distance) P-C4' energy: -55.809
flat angles C4'-P-C4' energy: -56.804
flat angles P-C4'-P energy: -42.364
tors. eta vs tors. theta energy: -71.398
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: 6, replica: 10
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -758.077089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.077089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.077089 (E_RNA)
where:
Base-Base interactions energy: -511.920
where: short stacking energy: -208.873
Base-Backbone interact. energy: 1.788
local terms energy: -247.945625
where:
bonds (distance) C4'-P energy: -39.109
bonds (distance) P-C4' energy: -56.082
flat angles C4'-P-C4' energy: -56.680
flat angles P-C4'-P energy: -30.853
tors. eta vs tors. theta energy: -65.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -733.461508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.461508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.461508 (E_RNA)
where:
Base-Base interactions energy: -495.477
where: short stacking energy: -188.495
Base-Backbone interact. energy: -0.341
local terms energy: -237.643387
where:
bonds (distance) C4'-P energy: -49.300
bonds (distance) P-C4' energy: -44.633
flat angles C4'-P-C4' energy: -49.901
flat angles P-C4'-P energy: -33.615
tors. eta vs tors. theta energy: -60.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -664.062250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.062250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.062250 (E_RNA)
where:
Base-Base interactions energy: -444.446
where: short stacking energy: -204.306
Base-Backbone interact. energy: -0.703
local terms energy: -218.913734
where:
bonds (distance) C4'-P energy: -43.423
bonds (distance) P-C4' energy: -43.353
flat angles C4'-P-C4' energy: -50.026
flat angles P-C4'-P energy: -32.619
tors. eta vs tors. theta energy: -49.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -635.347094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.347094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.347094 (E_RNA)
where:
Base-Base interactions energy: -407.870
where: short stacking energy: -171.173
Base-Backbone interact. energy: -1.162
local terms energy: -226.315120
where:
bonds (distance) C4'-P energy: -47.459
bonds (distance) P-C4' energy: -51.526
flat angles C4'-P-C4' energy: -43.752
flat angles P-C4'-P energy: -36.640
tors. eta vs tors. theta energy: -46.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -220.567290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.567290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.567290 (E_RNA)
where:
Base-Base interactions energy: -63.587
where: short stacking energy: -56.363
Base-Backbone interact. energy: 1.619
local terms energy: -158.599554
where:
bonds (distance) C4'-P energy: -57.489
bonds (distance) P-C4' energy: -57.646
flat angles C4'-P-C4' energy: -35.831
flat angles P-C4'-P energy: -14.563
tors. eta vs tors. theta energy: 6.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -945.186997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.186997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.186997 (E_RNA)
where:
Base-Base interactions energy: -652.839
where: short stacking energy: -282.800
Base-Backbone interact. energy: -2.091
local terms energy: -290.256752
where:
bonds (distance) C4'-P energy: -51.276
bonds (distance) P-C4' energy: -49.526
flat angles C4'-P-C4' energy: -62.566
flat angles P-C4'-P energy: -43.702
tors. eta vs tors. theta energy: -83.187
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: 2
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -937.949034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.949034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.949034 (E_RNA)
where:
Base-Base interactions energy: -659.519
where: short stacking energy: -268.390
Base-Backbone interact. energy: -0.787
local terms energy: -277.642802
where:
bonds (distance) C4'-P energy: -48.758
bonds (distance) P-C4' energy: -43.295
flat angles C4'-P-C4' energy: -64.678
flat angles P-C4'-P energy: -37.409
tors. eta vs tors. theta energy: -83.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -900.803128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.803128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.803128 (E_RNA)
where:
Base-Base interactions energy: -643.638
where: short stacking energy: -244.196
Base-Backbone interact. energy: -1.451
local terms energy: -255.713571
where:
bonds (distance) C4'-P energy: -47.351
bonds (distance) P-C4' energy: -47.061
flat angles C4'-P-C4' energy: -51.889
flat angles P-C4'-P energy: -39.204
tors. eta vs tors. theta energy: -70.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -839.488563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.488563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.488563 (E_RNA)
where:
Base-Base interactions energy: -559.037
where: short stacking energy: -240.280
Base-Backbone interact. energy: -0.547
local terms energy: -279.904659
where:
bonds (distance) C4'-P energy: -58.808
bonds (distance) P-C4' energy: -59.948
flat angles C4'-P-C4' energy: -52.090
flat angles P-C4'-P energy: -39.041
tors. eta vs tors. theta energy: -70.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -835.362117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.362117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.362117 (E_RNA)
where:
Base-Base interactions energy: -567.096
where: short stacking energy: -255.183
Base-Backbone interact. energy: -0.817
local terms energy: -267.448995
where:
bonds (distance) C4'-P energy: -45.547
bonds (distance) P-C4' energy: -57.559
flat angles C4'-P-C4' energy: -50.866
flat angles P-C4'-P energy: -36.953
tors. eta vs tors. theta energy: -76.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -769.932033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.932033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.932033 (E_RNA)
where:
Base-Base interactions energy: -546.104
where: short stacking energy: -237.036
Base-Backbone interact. energy: 1.181
local terms energy: -225.008776
where:
bonds (distance) C4'-P energy: -41.416
bonds (distance) P-C4' energy: -35.691
flat angles C4'-P-C4' energy: -47.333
flat angles P-C4'-P energy: -32.688
tors. eta vs tors. theta energy: -67.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -728.989601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.989601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.989601 (E_RNA)
where:
Base-Base interactions energy: -527.978
where: short stacking energy: -205.643
Base-Backbone interact. energy: -1.305
local terms energy: -199.705890
where:
bonds (distance) C4'-P energy: -27.556
bonds (distance) P-C4' energy: -39.199
flat angles C4'-P-C4' energy: -45.788
flat angles P-C4'-P energy: -33.985
tors. eta vs tors. theta energy: -53.177
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: 3
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -706.146949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.146949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.146949 (E_RNA)
where:
Base-Base interactions energy: -475.666
where: short stacking energy: -205.380
Base-Backbone interact. energy: -0.787
local terms energy: -229.694065
where:
bonds (distance) C4'-P energy: -38.953
bonds (distance) P-C4' energy: -45.815
flat angles C4'-P-C4' energy: -42.995
flat angles P-C4'-P energy: -42.025
tors. eta vs tors. theta energy: -59.906
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: 165
Temperature: 1.300000
Total energy: -626.937679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.937679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.937679 (E_RNA)
where:
Base-Base interactions energy: -420.496
where: short stacking energy: -179.647
Base-Backbone interact. energy: -1.108
local terms energy: -205.333642
where:
bonds (distance) C4'-P energy: -46.681
bonds (distance) P-C4' energy: -49.572
flat angles C4'-P-C4' energy: -35.907
flat angles P-C4'-P energy: -21.979
tors. eta vs tors. theta energy: -51.195
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: 10, replica: 6
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -229.847667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.847667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.847667 (E_RNA)
where:
Base-Base interactions energy: -97.649
where: short stacking energy: -72.997
Base-Backbone interact. energy: 2.489
local terms energy: -134.687995
where:
bonds (distance) C4'-P energy: -41.377
bonds (distance) P-C4' energy: -42.616
flat angles C4'-P-C4' energy: -39.143
flat angles P-C4'-P energy: -27.000
tors. eta vs tors. theta energy: 15.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -949.650804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.650804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.650804 (E_RNA)
where:
Base-Base interactions energy: -675.722
where: short stacking energy: -268.559
Base-Backbone interact. energy: -1.373
local terms energy: -272.556323
where:
bonds (distance) C4'-P energy: -48.593
bonds (distance) P-C4' energy: -56.250
flat angles C4'-P-C4' energy: -57.329
flat angles P-C4'-P energy: -37.303
tors. eta vs tors. theta energy: -73.081
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: 2, replica: 8
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -925.010520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.010520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.010520 (E_RNA)
where:
Base-Base interactions energy: -637.869
where: short stacking energy: -271.656
Base-Backbone interact. energy: -2.351
local terms energy: -284.790547
where:
bonds (distance) C4'-P energy: -47.385
bonds (distance) P-C4' energy: -52.656
flat angles C4'-P-C4' energy: -59.514
flat angles P-C4'-P energy: -42.693
tors. eta vs tors. theta energy: -82.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -907.981918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.981918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.981918 (E_RNA)
where:
Base-Base interactions energy: -630.830
where: short stacking energy: -268.247
Base-Backbone interact. energy: -1.399
local terms energy: -275.752408
where:
bonds (distance) C4'-P energy: -42.457
bonds (distance) P-C4' energy: -52.904
flat angles C4'-P-C4' energy: -60.470
flat angles P-C4'-P energy: -37.527
tors. eta vs tors. theta energy: -82.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -853.451308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.451308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.451308 (E_RNA)
where:
Base-Base interactions energy: -596.183
where: short stacking energy: -254.347
Base-Backbone interact. energy: -0.569
local terms energy: -256.699646
where:
bonds (distance) C4'-P energy: -53.605
bonds (distance) P-C4' energy: -37.362
flat angles C4'-P-C4' energy: -54.118
flat angles P-C4'-P energy: -39.136
tors. eta vs tors. theta energy: -72.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -827.964802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.964802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.964802 (E_RNA)
where:
Base-Base interactions energy: -587.391
where: short stacking energy: -250.722
Base-Backbone interact. energy: 0.253
local terms energy: -240.826739
where:
bonds (distance) C4'-P energy: -47.118
bonds (distance) P-C4' energy: -39.657
flat angles C4'-P-C4' energy: -48.091
flat angles P-C4'-P energy: -36.867
tors. eta vs tors. theta energy: -69.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -804.767699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.767699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.767699 (E_RNA)
where:
Base-Base interactions energy: -549.628
where: short stacking energy: -225.789
Base-Backbone interact. energy: -0.618
local terms energy: -254.521690
where:
bonds (distance) C4'-P energy: -47.861
bonds (distance) P-C4' energy: -58.176
flat angles C4'-P-C4' energy: -50.411
flat angles P-C4'-P energy: -30.728
tors. eta vs tors. theta energy: -67.347
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: 7, replica: 3
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -723.583323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.583323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.583323 (E_RNA)
where:
Base-Base interactions energy: -505.714
where: short stacking energy: -217.606
Base-Backbone interact. energy: 1.269
local terms energy: -219.138512
where:
bonds (distance) C4'-P energy: -43.362
bonds (distance) P-C4' energy: -43.624
flat angles C4'-P-C4' energy: -47.399
flat angles P-C4'-P energy: -30.740
tors. eta vs tors. theta energy: -54.014
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: 8, replica: 7
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -697.826412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.826412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.826412 (E_RNA)
where:
Base-Base interactions energy: -476.759
where: short stacking energy: -192.217
Base-Backbone interact. energy: -0.518
local terms energy: -220.549862
where:
bonds (distance) C4'-P energy: -40.536
bonds (distance) P-C4' energy: -44.859
flat angles C4'-P-C4' energy: -53.952
flat angles P-C4'-P energy: -34.173
tors. eta vs tors. theta energy: -47.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -533.575038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.575038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.575038 (E_RNA)
where:
Base-Base interactions energy: -343.095
where: short stacking energy: -151.187
Base-Backbone interact. energy: 0.056
local terms energy: -190.536097
where:
bonds (distance) C4'-P energy: -42.842
bonds (distance) P-C4' energy: -56.760
flat angles C4'-P-C4' energy: -36.961
flat angles P-C4'-P energy: -24.818
tors. eta vs tors. theta energy: -29.154
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: 6
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -215.602513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.602513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.602513 (E_RNA)
where:
Base-Base interactions energy: -78.443
where: short stacking energy: -64.099
Base-Backbone interact. energy: 0.535
local terms energy: -137.694197
where:
bonds (distance) C4'-P energy: -44.774
bonds (distance) P-C4' energy: -41.851
flat angles C4'-P-C4' energy: -33.198
flat angles P-C4'-P energy: -21.189
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: 2
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -936.244622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.244622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.244622 (E_RNA)
where:
Base-Base interactions energy: -666.868
where: short stacking energy: -261.785
Base-Backbone interact. energy: -1.697
local terms energy: -267.679974
where:
bonds (distance) C4'-P energy: -51.161
bonds (distance) P-C4' energy: -53.270
flat angles C4'-P-C4' energy: -53.115
flat angles P-C4'-P energy: -38.828
tors. eta vs tors. theta energy: -71.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -921.165353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.165353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.165353 (E_RNA)
where:
Base-Base interactions energy: -641.247
where: short stacking energy: -264.008
Base-Backbone interact. energy: -1.061
local terms energy: -278.857046
where:
bonds (distance) C4'-P energy: -54.347
bonds (distance) P-C4' energy: -44.894
flat angles C4'-P-C4' energy: -57.109
flat angles P-C4'-P energy: -40.483
tors. eta vs tors. theta energy: -82.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -893.355010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.355010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.355010 (E_RNA)
where:
Base-Base interactions energy: -615.733
where: short stacking energy: -255.981
Base-Backbone interact. energy: -1.481
local terms energy: -276.140429
where:
bonds (distance) C4'-P energy: -45.966
bonds (distance) P-C4' energy: -53.333
flat angles C4'-P-C4' energy: -61.096
flat angles P-C4'-P energy: -37.848
tors. eta vs tors. theta energy: -77.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -856.349989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.349989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.349989 (E_RNA)
where:
Base-Base interactions energy: -592.475
where: short stacking energy: -253.204
Base-Backbone interact. energy: -0.724
local terms energy: -263.151159
where:
bonds (distance) C4'-P energy: -46.667
bonds (distance) P-C4' energy: -53.335
flat angles C4'-P-C4' energy: -48.284
flat angles P-C4'-P energy: -34.127
tors. eta vs tors. theta energy: -80.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -839.877270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.877270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.877270 (E_RNA)
where:
Base-Base interactions energy: -567.858
where: short stacking energy: -246.797
Base-Backbone interact. energy: -0.241
local terms energy: -271.778380
where:
bonds (distance) C4'-P energy: -55.300
bonds (distance) P-C4' energy: -48.980
flat angles C4'-P-C4' energy: -59.857
flat angles P-C4'-P energy: -37.214
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: 10
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -804.913188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.913188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.913188 (E_RNA)
where:
Base-Base interactions energy: -538.699
where: short stacking energy: -235.139
Base-Backbone interact. energy: -1.388
local terms energy: -264.826678
where:
bonds (distance) C4'-P energy: -53.289
bonds (distance) P-C4' energy: -50.338
flat angles C4'-P-C4' energy: -51.627
flat angles P-C4'-P energy: -41.857
tors. eta vs tors. theta energy: -67.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -732.586382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.586382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.586382 (E_RNA)
where:
Base-Base interactions energy: -500.441
where: short stacking energy: -203.370
Base-Backbone interact. energy: -0.780
local terms energy: -231.364861
where:
bonds (distance) C4'-P energy: -48.059
bonds (distance) P-C4' energy: -33.765
flat angles C4'-P-C4' energy: -52.793
flat angles P-C4'-P energy: -43.019
tors. eta vs tors. theta energy: -53.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -683.801581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.801581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.801581 (E_RNA)
where:
Base-Base interactions energy: -492.227
where: short stacking energy: -188.014
Base-Backbone interact. energy: -0.305
local terms energy: -191.269209
where:
bonds (distance) C4'-P energy: -42.111
bonds (distance) P-C4' energy: -42.904
flat angles C4'-P-C4' energy: -35.786
flat angles P-C4'-P energy: -27.519
tors. eta vs tors. theta energy: -42.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -443.857145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.857145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.857145 (E_RNA)
where:
Base-Base interactions energy: -258.427
where: short stacking energy: -130.398
Base-Backbone interact. energy: 0.410
local terms energy: -185.839382
where:
bonds (distance) C4'-P energy: -47.026
bonds (distance) P-C4' energy: -41.312
flat angles C4'-P-C4' energy: -41.036
flat angles P-C4'-P energy: -24.416
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: 10, replica: 6
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -215.863262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.863262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.863262 (E_RNA)
where:
Base-Base interactions energy: -80.842
where: short stacking energy: -64.334
Base-Backbone interact. energy: -0.920
local terms energy: -134.101550
where:
bonds (distance) C4'-P energy: -50.099
bonds (distance) P-C4' energy: -45.946
flat angles C4'-P-C4' energy: -34.562
flat angles P-C4'-P energy: -16.949
tors. eta vs tors. theta energy: 13.455
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: 1, replica: 2
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -958.328572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.328572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.328572 (E_RNA)
where:
Base-Base interactions energy: -680.423
where: short stacking energy: -272.428
Base-Backbone interact. energy: -1.387
local terms energy: -276.517751
where:
bonds (distance) C4'-P energy: -49.918
bonds (distance) P-C4' energy: -51.950
flat angles C4'-P-C4' energy: -58.997
flat angles P-C4'-P energy: -37.193
tors. eta vs tors. theta energy: -78.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -921.177158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.177158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.177158 (E_RNA)
where:
Base-Base interactions energy: -640.961
where: short stacking energy: -255.171
Base-Backbone interact. energy: -1.733
local terms energy: -278.482706
where:
bonds (distance) C4'-P energy: -47.600
bonds (distance) P-C4' energy: -55.214
flat angles C4'-P-C4' energy: -57.911
flat angles P-C4'-P energy: -39.429
tors. eta vs tors. theta energy: -78.329
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: 8
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -920.693642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.693642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.693642 (E_RNA)
where:
Base-Base interactions energy: -639.388
where: short stacking energy: -273.121
Base-Backbone interact. energy: -2.728
local terms energy: -278.577247
where:
bonds (distance) C4'-P energy: -48.216
bonds (distance) P-C4' energy: -46.980
flat angles C4'-P-C4' energy: -57.544
flat angles P-C4'-P energy: -43.079
tors. eta vs tors. theta energy: -82.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -867.199870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.199870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.199870 (E_RNA)
where:
Base-Base interactions energy: -606.731
where: short stacking energy: -253.585
Base-Backbone interact. energy: -1.066
local terms energy: -259.402786
where:
bonds (distance) C4'-P energy: -47.350
bonds (distance) P-C4' energy: -40.390
flat angles C4'-P-C4' energy: -53.916
flat angles P-C4'-P energy: -42.257
tors. eta vs tors. theta energy: -75.489
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: 10
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -810.624849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.624849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.624849 (E_RNA)
where:
Base-Base interactions energy: -569.915
where: short stacking energy: -230.103
Base-Backbone interact. energy: 0.245
local terms energy: -240.954560
where:
bonds (distance) C4'-P energy: -50.009
bonds (distance) P-C4' energy: -40.042
flat angles C4'-P-C4' energy: -52.791
flat angles P-C4'-P energy: -33.687
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: 6, replica: 4
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -804.893932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.893932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.893932 (E_RNA)
where:
Base-Base interactions energy: -547.641
where: short stacking energy: -247.519
Base-Backbone interact. energy: -1.893
local terms energy: -255.360070
where:
bonds (distance) C4'-P energy: -50.433
bonds (distance) P-C4' energy: -49.217
flat angles C4'-P-C4' energy: -46.074
flat angles P-C4'-P energy: -42.455
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: 7, replica: 3
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -730.266440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.266440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.266440 (E_RNA)
where:
Base-Base interactions energy: -498.667
where: short stacking energy: -192.620
Base-Backbone interact. energy: -2.683
local terms energy: -228.916791
where:
bonds (distance) C4'-P energy: -50.461
bonds (distance) P-C4' energy: -44.257
flat angles C4'-P-C4' energy: -52.674
flat angles P-C4'-P energy: -36.782
tors. eta vs tors. theta energy: -44.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -700.054055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.054055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.054055 (E_RNA)
where:
Base-Base interactions energy: -476.981
where: short stacking energy: -194.522
Base-Backbone interact. energy: 3.005
local terms energy: -226.078567
where:
bonds (distance) C4'-P energy: -47.292
bonds (distance) P-C4' energy: -41.199
flat angles C4'-P-C4' energy: -49.249
flat angles P-C4'-P energy: -34.906
tors. eta vs tors. theta energy: -53.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -472.094945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.094945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.094945 (E_RNA)
where:
Base-Base interactions energy: -281.559
where: short stacking energy: -138.834
Base-Backbone interact. energy: -1.448
local terms energy: -189.087585
where:
bonds (distance) C4'-P energy: -42.627
bonds (distance) P-C4' energy: -43.161
flat angles C4'-P-C4' energy: -46.436
flat angles P-C4'-P energy: -26.927
tors. eta vs tors. theta energy: -29.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -235.536635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.536635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.536635 (E_RNA)
where:
Base-Base interactions energy: -87.974
where: short stacking energy: -81.667
Base-Backbone interact. energy: -0.213
local terms energy: -147.349713
where:
bonds (distance) C4'-P energy: -35.132
bonds (distance) P-C4' energy: -47.670
flat angles C4'-P-C4' energy: -44.978
flat angles P-C4'-P energy: -15.743
tors. eta vs tors. theta energy: -3.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -946.195780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.195780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.195780 (E_RNA)
where:
Base-Base interactions energy: -667.294
where: short stacking energy: -274.387
Base-Backbone interact. energy: -1.732
local terms energy: -277.169795
where:
bonds (distance) C4'-P energy: -53.909
bonds (distance) P-C4' energy: -52.543
flat angles C4'-P-C4' energy: -59.446
flat angles P-C4'-P energy: -36.380
tors. eta vs tors. theta energy: -74.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -925.082271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.082271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.082271 (E_RNA)
where:
Base-Base interactions energy: -636.165
where: short stacking energy: -271.182
Base-Backbone interact. energy: -1.900
local terms energy: -287.018031
where:
bonds (distance) C4'-P energy: -52.551
bonds (distance) P-C4' energy: -47.168
flat angles C4'-P-C4' energy: -58.448
flat angles P-C4'-P energy: -42.508
tors. eta vs tors. theta energy: -86.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -919.788133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.788133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.788133 (E_RNA)
where:
Base-Base interactions energy: -628.355
where: short stacking energy: -257.412
Base-Backbone interact. energy: -0.783
local terms energy: -290.649746
where:
bonds (distance) C4'-P energy: -54.483
bonds (distance) P-C4' energy: -57.185
flat angles C4'-P-C4' energy: -56.850
flat angles P-C4'-P energy: -44.352
tors. eta vs tors. theta energy: -77.780
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: 10
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -841.082223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.082223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.082223 (E_RNA)
where:
Base-Base interactions energy: -585.825
where: short stacking energy: -252.393
Base-Backbone interact. energy: 2.539
local terms energy: -257.796045
where:
bonds (distance) C4'-P energy: -46.264
bonds (distance) P-C4' energy: -58.748
flat angles C4'-P-C4' energy: -47.033
flat angles P-C4'-P energy: -33.530
tors. eta vs tors. theta energy: -72.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -837.737534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.737534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.737534 (E_RNA)
where:
Base-Base interactions energy: -586.598
where: short stacking energy: -251.232
Base-Backbone interact. energy: -1.266
local terms energy: -249.872702
where:
bonds (distance) C4'-P energy: -42.167
bonds (distance) P-C4' energy: -51.248
flat angles C4'-P-C4' energy: -46.187
flat angles P-C4'-P energy: -34.955
tors. eta vs tors. theta energy: -75.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -745.280973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.280973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.280973 (E_RNA)
where:
Base-Base interactions energy: -518.777
where: short stacking energy: -216.511
Base-Backbone interact. energy: -0.706
local terms energy: -225.798071
where:
bonds (distance) C4'-P energy: -48.504
bonds (distance) P-C4' energy: -34.241
flat angles C4'-P-C4' energy: -47.266
flat angles P-C4'-P energy: -37.731
tors. eta vs tors. theta energy: -58.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -795.348554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.348554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.348554 (E_RNA)
where:
Base-Base interactions energy: -543.523
where: short stacking energy: -229.055
Base-Backbone interact. energy: -1.078
local terms energy: -250.747891
where:
bonds (distance) C4'-P energy: -42.569
bonds (distance) P-C4' energy: -53.320
flat angles C4'-P-C4' energy: -50.166
flat angles P-C4'-P energy: -32.615
tors. eta vs tors. theta energy: -72.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -715.384839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.384839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.384839 (E_RNA)
where:
Base-Base interactions energy: -505.903
where: short stacking energy: -194.347
Base-Backbone interact. energy: -0.568
local terms energy: -208.914055
where:
bonds (distance) C4'-P energy: -23.845
bonds (distance) P-C4' energy: -51.030
flat angles C4'-P-C4' energy: -53.557
flat angles P-C4'-P energy: -34.627
tors. eta vs tors. theta energy: -45.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -471.768492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.768492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.768492 (E_RNA)
where:
Base-Base interactions energy: -307.702
where: short stacking energy: -130.946
Base-Backbone interact. energy: -1.496
local terms energy: -162.571287
where:
bonds (distance) C4'-P energy: -36.741
bonds (distance) P-C4' energy: -42.472
flat angles C4'-P-C4' energy: -37.099
flat angles P-C4'-P energy: -20.050
tors. eta vs tors. theta energy: -26.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -240.823024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.823024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.823024 (E_RNA)
where:
Base-Base interactions energy: -78.660
where: short stacking energy: -72.307
Base-Backbone interact. energy: 4.260
local terms energy: -166.423200
where:
bonds (distance) C4'-P energy: -47.617
bonds (distance) P-C4' energy: -53.965
flat angles C4'-P-C4' energy: -40.099
flat angles P-C4'-P energy: -29.493
tors. eta vs tors. theta energy: 4.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -943.243707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.243707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.243707 (E_RNA)
where:
Base-Base interactions energy: -653.511
where: short stacking energy: -269.333
Base-Backbone interact. energy: -2.077
local terms energy: -287.655624
where:
bonds (distance) C4'-P energy: -45.788
bonds (distance) P-C4' energy: -62.286
flat angles C4'-P-C4' energy: -65.457
flat angles P-C4'-P energy: -34.815
tors. eta vs tors. theta energy: -79.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -926.941419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.941419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.941419 (E_RNA)
where:
Base-Base interactions energy: -641.731
where: short stacking energy: -271.837
Base-Backbone interact. energy: -1.339
local terms energy: -283.871559
where:
bonds (distance) C4'-P energy: -42.061
bonds (distance) P-C4' energy: -57.498
flat angles C4'-P-C4' energy: -58.605
flat angles P-C4'-P energy: -40.538
tors. eta vs tors. theta energy: -85.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -914.565279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.565279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.565279 (E_RNA)
where:
Base-Base interactions energy: -635.460
where: short stacking energy: -252.225
Base-Backbone interact. energy: -0.908
local terms energy: -278.197939
where:
bonds (distance) C4'-P energy: -55.149
bonds (distance) P-C4' energy: -52.073
flat angles C4'-P-C4' energy: -58.653
flat angles P-C4'-P energy: -41.577
tors. eta vs tors. theta energy: -70.746
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: 4, replica: 10
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -830.556129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.556129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.556129 (E_RNA)
where:
Base-Base interactions energy: -564.173
where: short stacking energy: -247.243
Base-Backbone interact. energy: 1.225
local terms energy: -267.608358
where:
bonds (distance) C4'-P energy: -46.063
bonds (distance) P-C4' energy: -51.326
flat angles C4'-P-C4' energy: -53.855
flat angles P-C4'-P energy: -43.085
tors. eta vs tors. theta energy: -73.279
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: 3
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -786.405857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.405857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.405857 (E_RNA)
where:
Base-Base interactions energy: -544.270
where: short stacking energy: -229.479
Base-Backbone interact. energy: -2.131
local terms energy: -240.004362
where:
bonds (distance) C4'-P energy: -46.585
bonds (distance) P-C4' energy: -53.681
flat angles C4'-P-C4' energy: -47.139
flat angles P-C4'-P energy: -30.148
tors. eta vs tors. theta energy: -62.451
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: 1
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -846.831225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.831225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.831225 (E_RNA)
where:
Base-Base interactions energy: -589.193
where: short stacking energy: -244.617
Base-Backbone interact. energy: 1.227
local terms energy: -258.865180
where:
bonds (distance) C4'-P energy: -46.288
bonds (distance) P-C4' energy: -39.126
flat angles C4'-P-C4' energy: -54.700
flat angles P-C4'-P energy: -47.934
tors. eta vs tors. theta energy: -70.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -739.824608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.824608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.824608 (E_RNA)
where:
Base-Base interactions energy: -504.347
where: short stacking energy: -212.312
Base-Backbone interact. energy: 0.004
local terms energy: -235.481131
where:
bonds (distance) C4'-P energy: -39.279
bonds (distance) P-C4' energy: -51.618
flat angles C4'-P-C4' energy: -48.422
flat angles P-C4'-P energy: -31.667
tors. eta vs tors. theta energy: -64.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -754.201326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.201326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.201326 (E_RNA)
where:
Base-Base interactions energy: -525.747
where: short stacking energy: -208.931
Base-Backbone interact. energy: -1.673
local terms energy: -226.781521
where:
bonds (distance) C4'-P energy: -35.513
bonds (distance) P-C4' energy: -51.002
flat angles C4'-P-C4' energy: -48.878
flat angles P-C4'-P energy: -31.296
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: 9, replica: 9
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -450.571092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.571092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.571092 (E_RNA)
where:
Base-Base interactions energy: -283.625
where: short stacking energy: -127.857
Base-Backbone interact. energy: 0.606
local terms energy: -167.552506
where:
bonds (distance) C4'-P energy: -34.765
bonds (distance) P-C4' energy: -46.267
flat angles C4'-P-C4' energy: -46.056
flat angles P-C4'-P energy: -27.223
tors. eta vs tors. theta energy: -13.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -225.874579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.874579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.874579 (E_RNA)
where:
Base-Base interactions energy: -84.095
where: short stacking energy: -48.398
Base-Backbone interact. energy: -1.365
local terms energy: -140.414668
where:
bonds (distance) C4'-P energy: -38.494
bonds (distance) P-C4' energy: -57.426
flat angles C4'-P-C4' energy: -31.443
flat angles P-C4'-P energy: -22.362
tors. eta vs tors. theta energy: 9.310
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: 2
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -947.232852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.232852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.232852 (E_RNA)
where:
Base-Base interactions energy: -668.614
where: short stacking energy: -280.800
Base-Backbone interact. energy: -1.623
local terms energy: -276.995771
where:
bonds (distance) C4'-P energy: -53.142
bonds (distance) P-C4' energy: -45.073
flat angles C4'-P-C4' energy: -62.069
flat angles P-C4'-P energy: -36.454
tors. eta vs tors. theta energy: -80.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -906.627777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.627777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.627777 (E_RNA)
where:
Base-Base interactions energy: -641.566
where: short stacking energy: -274.253
Base-Backbone interact. energy: 1.416
local terms energy: -266.477867
where:
bonds (distance) C4'-P energy: -40.359
bonds (distance) P-C4' energy: -49.565
flat angles C4'-P-C4' energy: -58.343
flat angles P-C4'-P energy: -38.953
tors. eta vs tors. theta energy: -79.257
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: 5
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -887.257926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.257926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.257926 (E_RNA)
where:
Base-Base interactions energy: -627.240
where: short stacking energy: -254.514
Base-Backbone interact. energy: 1.799
local terms energy: -261.817415
where:
bonds (distance) C4'-P energy: -51.282
bonds (distance) P-C4' energy: -52.451
flat angles C4'-P-C4' energy: -58.166
flat angles P-C4'-P energy: -34.229
tors. eta vs tors. theta energy: -65.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -820.509909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.509909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.509909 (E_RNA)
where:
Base-Base interactions energy: -565.358
where: short stacking energy: -244.094
Base-Backbone interact. energy: 0.720
local terms energy: -255.871294
where:
bonds (distance) C4'-P energy: -49.480
bonds (distance) P-C4' energy: -47.489
flat angles C4'-P-C4' energy: -44.098
flat angles P-C4'-P energy: -42.750
tors. eta vs tors. theta energy: -72.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -819.248961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.248961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.248961 (E_RNA)
where:
Base-Base interactions energy: -563.577
where: short stacking energy: -246.525
Base-Backbone interact. energy: -0.779
local terms energy: -254.893164
where:
bonds (distance) C4'-P energy: -53.292
bonds (distance) P-C4' energy: -46.651
flat angles C4'-P-C4' energy: -60.168
flat angles P-C4'-P energy: -30.283
tors. eta vs tors. theta energy: -64.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -846.861649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.861649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.861649 (E_RNA)
where:
Base-Base interactions energy: -602.741
where: short stacking energy: -257.002
Base-Backbone interact. energy: -0.546
local terms energy: -243.574382
where:
bonds (distance) C4'-P energy: -45.710
bonds (distance) P-C4' energy: -40.159
flat angles C4'-P-C4' energy: -52.063
flat angles P-C4'-P energy: -34.007
tors. eta vs tors. theta energy: -71.635
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: 7, replica: 7
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -718.150744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.150744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.150744 (E_RNA)
where:
Base-Base interactions energy: -484.603
where: short stacking energy: -191.015
Base-Backbone interact. energy: -0.240
local terms energy: -233.307115
where:
bonds (distance) C4'-P energy: -46.138
bonds (distance) P-C4' energy: -55.520
flat angles C4'-P-C4' energy: -52.512
flat angles P-C4'-P energy: -25.935
tors. eta vs tors. theta energy: -53.203
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: 171
Temperature: 1.250000
Total energy: -683.313279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.313279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.313279 (E_RNA)
where:
Base-Base interactions energy: -467.523
where: short stacking energy: -184.139
Base-Backbone interact. energy: -1.317
local terms energy: -214.473562
where:
bonds (distance) C4'-P energy: -47.413
bonds (distance) P-C4' energy: -45.367
flat angles C4'-P-C4' energy: -38.884
flat angles P-C4'-P energy: -40.232
tors. eta vs tors. theta energy: -42.577
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: 171
Temperature: 1.300000
Total energy: -446.246328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.246328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.246328 (E_RNA)
where:
Base-Base interactions energy: -260.407
where: short stacking energy: -133.229
Base-Backbone interact. energy: -0.781
local terms energy: -185.058546
where:
bonds (distance) C4'-P energy: -45.277
bonds (distance) P-C4' energy: -48.389
flat angles C4'-P-C4' energy: -39.432
flat angles P-C4'-P energy: -25.944
tors. eta vs tors. theta energy: -26.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -222.330741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.330741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.330741 (E_RNA)
where:
Base-Base interactions energy: -67.117
where: short stacking energy: -55.048
Base-Backbone interact. energy: 3.449
local terms energy: -158.663188
where:
bonds (distance) C4'-P energy: -48.779
bonds (distance) P-C4' energy: -50.384
flat angles C4'-P-C4' energy: -55.079
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: 7.085
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: 8
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -941.246855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.246855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.246855 (E_RNA)
where:
Base-Base interactions energy: -651.939
where: short stacking energy: -285.628
Base-Backbone interact. energy: -2.082
local terms energy: -287.226212
where:
bonds (distance) C4'-P energy: -53.210
bonds (distance) P-C4' energy: -47.445
flat angles C4'-P-C4' energy: -57.625
flat angles P-C4'-P energy: -42.733
tors. eta vs tors. theta energy: -86.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -920.972333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.972333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.972333 (E_RNA)
where:
Base-Base interactions energy: -650.787
where: short stacking energy: -269.274
Base-Backbone interact. energy: -3.027
local terms energy: -267.158636
where:
bonds (distance) C4'-P energy: -39.594
bonds (distance) P-C4' energy: -50.044
flat angles C4'-P-C4' energy: -64.054
flat angles P-C4'-P energy: -42.760
tors. eta vs tors. theta energy: -70.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -883.585255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.585255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.585255 (E_RNA)
where:
Base-Base interactions energy: -616.162
where: short stacking energy: -243.977
Base-Backbone interact. energy: -2.039
local terms energy: -265.384629
where:
bonds (distance) C4'-P energy: -52.440
bonds (distance) P-C4' energy: -46.337
flat angles C4'-P-C4' energy: -53.477
flat angles P-C4'-P energy: -41.663
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: 4, replica: 3
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -852.105837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.105837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.105837 (E_RNA)
where:
Base-Base interactions energy: -590.166
where: short stacking energy: -258.060
Base-Backbone interact. energy: -0.558
local terms energy: -261.382126
where:
bonds (distance) C4'-P energy: -46.882
bonds (distance) P-C4' energy: -43.035
flat angles C4'-P-C4' energy: -49.170
flat angles P-C4'-P energy: -39.400
tors. eta vs tors. theta energy: -82.894
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: 172
Temperature: 1.100000
Total energy: -844.935277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.935277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.935277 (E_RNA)
where:
Base-Base interactions energy: -579.451
where: short stacking energy: -247.138
Base-Backbone interact. energy: 0.308
local terms energy: -265.792103
where:
bonds (distance) C4'-P energy: -51.409
bonds (distance) P-C4' energy: -46.252
flat angles C4'-P-C4' energy: -53.206
flat angles P-C4'-P energy: -41.125
tors. eta vs tors. theta energy: -73.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -802.346743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.346743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.346743 (E_RNA)
where:
Base-Base interactions energy: -565.800
where: short stacking energy: -225.704
Base-Backbone interact. energy: 1.127
local terms energy: -237.673741
where:
bonds (distance) C4'-P energy: -43.062
bonds (distance) P-C4' energy: -42.522
flat angles C4'-P-C4' energy: -51.082
flat angles P-C4'-P energy: -36.144
tors. eta vs tors. theta energy: -64.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -739.219894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.219894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.219894 (E_RNA)
where:
Base-Base interactions energy: -494.001
where: short stacking energy: -201.761
Base-Backbone interact. energy: 2.287
local terms energy: -247.506626
where:
bonds (distance) C4'-P energy: -42.781
bonds (distance) P-C4' energy: -50.640
flat angles C4'-P-C4' energy: -57.485
flat angles P-C4'-P energy: -40.667
tors. eta vs tors. theta energy: -55.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -683.543772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.543772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.543772 (E_RNA)
where:
Base-Base interactions energy: -470.739
where: short stacking energy: -179.603
Base-Backbone interact. energy: -1.424
local terms energy: -211.380513
where:
bonds (distance) C4'-P energy: -32.714
bonds (distance) P-C4' energy: -53.737
flat angles C4'-P-C4' energy: -42.585
flat angles P-C4'-P energy: -34.397
tors. eta vs tors. theta energy: -47.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -411.959484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.959484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.959484 (E_RNA)
where:
Base-Base interactions energy: -215.784
where: short stacking energy: -105.171
Base-Backbone interact. energy: -1.128
local terms energy: -195.047496
where:
bonds (distance) C4'-P energy: -46.488
bonds (distance) P-C4' energy: -49.110
flat angles C4'-P-C4' energy: -44.654
flat angles P-C4'-P energy: -36.073
tors. eta vs tors. theta energy: -18.723
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: 10, replica: 6
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -216.706813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.706813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.706813 (E_RNA)
where:
Base-Base interactions energy: -84.121
where: short stacking energy: -58.200
Base-Backbone interact. energy: -4.299
local terms energy: -128.287392
where:
bonds (distance) C4'-P energy: -37.664
bonds (distance) P-C4' energy: -42.125
flat angles C4'-P-C4' energy: -43.944
flat angles P-C4'-P energy: -21.281
tors. eta vs tors. theta energy: 16.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -944.893472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.893472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.893472 (E_RNA)
where:
Base-Base interactions energy: -665.474
where: short stacking energy: -290.200
Base-Backbone interact. energy: -1.136
local terms energy: -278.282563
where:
bonds (distance) C4'-P energy: -42.762
bonds (distance) P-C4' energy: -51.698
flat angles C4'-P-C4' energy: -62.620
flat angles P-C4'-P energy: -33.388
tors. eta vs tors. theta energy: -87.813
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: 2
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -917.379318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.379318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.379318 (E_RNA)
where:
Base-Base interactions energy: -633.981
where: short stacking energy: -270.577
Base-Backbone interact. energy: -0.870
local terms energy: -282.528256
where:
bonds (distance) C4'-P energy: -50.647
bonds (distance) P-C4' energy: -56.788
flat angles C4'-P-C4' energy: -59.660
flat angles P-C4'-P energy: -40.677
tors. eta vs tors. theta energy: -74.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -881.239249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.239249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.239249 (E_RNA)
where:
Base-Base interactions energy: -616.910
where: short stacking energy: -253.605
Base-Backbone interact. energy: -1.898
local terms energy: -262.431249
where:
bonds (distance) C4'-P energy: -53.197
bonds (distance) P-C4' energy: -52.931
flat angles C4'-P-C4' energy: -47.944
flat angles P-C4'-P energy: -38.910
tors. eta vs tors. theta energy: -69.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -879.392383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.392383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.392383 (E_RNA)
where:
Base-Base interactions energy: -604.142
where: short stacking energy: -266.168
Base-Backbone interact. energy: -1.661
local terms energy: -273.588706
where:
bonds (distance) C4'-P energy: -50.804
bonds (distance) P-C4' energy: -50.707
flat angles C4'-P-C4' energy: -56.290
flat angles P-C4'-P energy: -36.421
tors. eta vs tors. theta energy: -79.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -806.515331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.515331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.515331 (E_RNA)
where:
Base-Base interactions energy: -565.347
where: short stacking energy: -241.307
Base-Backbone interact. energy: 1.445
local terms energy: -242.614066
where:
bonds (distance) C4'-P energy: -27.606
bonds (distance) P-C4' energy: -47.338
flat angles C4'-P-C4' energy: -58.227
flat angles P-C4'-P energy: -37.801
tors. eta vs tors. theta energy: -71.642
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: 10
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -787.149999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.149999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.149999 (E_RNA)
where:
Base-Base interactions energy: -557.776
where: short stacking energy: -220.531
Base-Backbone interact. energy: -0.667
local terms energy: -228.707039
where:
bonds (distance) C4'-P energy: -39.736
bonds (distance) P-C4' energy: -42.984
flat angles C4'-P-C4' energy: -47.649
flat angles P-C4'-P energy: -36.668
tors. eta vs tors. theta energy: -61.670
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: 4
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -748.011564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.011564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.011564 (E_RNA)
where:
Base-Base interactions energy: -526.350
where: short stacking energy: -209.758
Base-Backbone interact. energy: -0.222
local terms energy: -221.439914
where:
bonds (distance) C4'-P energy: -42.563
bonds (distance) P-C4' energy: -44.651
flat angles C4'-P-C4' energy: -47.716
flat angles P-C4'-P energy: -31.749
tors. eta vs tors. theta energy: -54.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -679.878841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.878841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.878841 (E_RNA)
where:
Base-Base interactions energy: -463.021
where: short stacking energy: -191.186
Base-Backbone interact. energy: -2.319
local terms energy: -214.538862
where:
bonds (distance) C4'-P energy: -41.374
bonds (distance) P-C4' energy: -48.017
flat angles C4'-P-C4' energy: -47.952
flat angles P-C4'-P energy: -27.359
tors. eta vs tors. theta energy: -49.836
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: 173
Temperature: 1.300000
Total energy: -371.319801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.319801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.319801 (E_RNA)
where:
Base-Base interactions energy: -196.995
where: short stacking energy: -102.675
Base-Backbone interact. energy: -2.557
local terms energy: -171.767172
where:
bonds (distance) C4'-P energy: -38.962
bonds (distance) P-C4' energy: -45.046
flat angles C4'-P-C4' energy: -45.669
flat angles P-C4'-P energy: -26.929
tors. eta vs tors. theta energy: -15.161
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: 6
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -240.211138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.211138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.211138 (E_RNA)
where:
Base-Base interactions energy: -100.679
where: short stacking energy: -93.646
Base-Backbone interact. energy: 0.154
local terms energy: -139.686668
where:
bonds (distance) C4'-P energy: -42.706
bonds (distance) P-C4' energy: -48.108
flat angles C4'-P-C4' energy: -22.985
flat angles P-C4'-P energy: -25.916
tors. eta vs tors. theta energy: 0.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -952.571165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.571165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.571165 (E_RNA)
where:
Base-Base interactions energy: -668.659
where: short stacking energy: -298.079
Base-Backbone interact. energy: -0.003
local terms energy: -283.909046
where:
bonds (distance) C4'-P energy: -54.083
bonds (distance) P-C4' energy: -55.282
flat angles C4'-P-C4' energy: -54.114
flat angles P-C4'-P energy: -32.468
tors. eta vs tors. theta energy: -87.961
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: 2, replica: 2
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -919.885661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.885661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.885661 (E_RNA)
where:
Base-Base interactions energy: -654.281
where: short stacking energy: -286.960
Base-Backbone interact. energy: -0.967
local terms energy: -264.637872
where:
bonds (distance) C4'-P energy: -44.395
bonds (distance) P-C4' energy: -45.446
flat angles C4'-P-C4' energy: -58.797
flat angles P-C4'-P energy: -37.287
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: 3, replica: 1
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -876.709866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.709866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.709866 (E_RNA)
where:
Base-Base interactions energy: -592.557
where: short stacking energy: -263.159
Base-Backbone interact. energy: -1.980
local terms energy: -282.172915
where:
bonds (distance) C4'-P energy: -50.685
bonds (distance) P-C4' energy: -54.297
flat angles C4'-P-C4' energy: -63.537
flat angles P-C4'-P energy: -38.992
tors. eta vs tors. theta energy: -74.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -887.777648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.777648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.777648 (E_RNA)
where:
Base-Base interactions energy: -616.762
where: short stacking energy: -255.504
Base-Backbone interact. energy: 0.514
local terms energy: -271.529318
where:
bonds (distance) C4'-P energy: -47.203
bonds (distance) P-C4' energy: -43.023
flat angles C4'-P-C4' energy: -57.465
flat angles P-C4'-P energy: -39.810
tors. eta vs tors. theta energy: -84.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -804.903297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.903297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.903297 (E_RNA)
where:
Base-Base interactions energy: -558.823
where: short stacking energy: -234.157
Base-Backbone interact. energy: 0.250
local terms energy: -246.330051
where:
bonds (distance) C4'-P energy: -48.316
bonds (distance) P-C4' energy: -44.187
flat angles C4'-P-C4' energy: -56.430
flat angles P-C4'-P energy: -35.073
tors. eta vs tors. theta energy: -62.324
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: 6, replica: 10
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -746.453935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.453935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.453935 (E_RNA)
where:
Base-Base interactions energy: -507.957
where: short stacking energy: -212.713
Base-Backbone interact. energy: -0.451
local terms energy: -238.046000
where:
bonds (distance) C4'-P energy: -49.835
bonds (distance) P-C4' energy: -40.074
flat angles C4'-P-C4' energy: -52.980
flat angles P-C4'-P energy: -32.508
tors. eta vs tors. theta energy: -62.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -753.505740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.505740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.505740 (E_RNA)
where:
Base-Base interactions energy: -511.922
where: short stacking energy: -208.436
Base-Backbone interact. energy: 4.197
local terms energy: -245.780001
where:
bonds (distance) C4'-P energy: -49.954
bonds (distance) P-C4' energy: -57.815
flat angles C4'-P-C4' energy: -43.292
flat angles P-C4'-P energy: -27.058
tors. eta vs tors. theta energy: -67.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -674.235937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.235937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.235937 (E_RNA)
where:
Base-Base interactions energy: -456.829
where: short stacking energy: -195.005
Base-Backbone interact. energy: -0.832
local terms energy: -216.574326
where:
bonds (distance) C4'-P energy: -41.840
bonds (distance) P-C4' energy: -40.568
flat angles C4'-P-C4' energy: -61.830
flat angles P-C4'-P energy: -28.848
tors. eta vs tors. theta energy: -43.489
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: 9, replica: 9
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -396.207775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.207775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.207775 (E_RNA)
where:
Base-Base interactions energy: -216.226
where: short stacking energy: -115.192
Base-Backbone interact. energy: -1.317
local terms energy: -178.665203
where:
bonds (distance) C4'-P energy: -42.234
bonds (distance) P-C4' energy: -52.289
flat angles C4'-P-C4' energy: -43.240
flat angles P-C4'-P energy: -26.870
tors. eta vs tors. theta energy: -14.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -245.223426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.223426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.223426 (E_RNA)
where:
Base-Base interactions energy: -99.167
where: short stacking energy: -83.992
Base-Backbone interact. energy: 1.120
local terms energy: -147.176771
where:
bonds (distance) C4'-P energy: -32.945
bonds (distance) P-C4' energy: -41.720
flat angles C4'-P-C4' energy: -49.659
flat angles P-C4'-P energy: -19.475
tors. eta vs tors. theta energy: -3.379
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: 8
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -958.683753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.683753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.683753 (E_RNA)
where:
Base-Base interactions energy: -671.945
where: short stacking energy: -282.664
Base-Backbone interact. energy: -0.157
local terms energy: -286.581579
where:
bonds (distance) C4'-P energy: -47.759
bonds (distance) P-C4' energy: -51.596
flat angles C4'-P-C4' energy: -56.126
flat angles P-C4'-P energy: -44.231
tors. eta vs tors. theta energy: -86.870
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: 175
Temperature: 0.950000
Total energy: -928.987847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.987847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.987847 (E_RNA)
where:
Base-Base interactions energy: -647.628
where: short stacking energy: -266.362
Base-Backbone interact. energy: -1.151
local terms energy: -280.208123
where:
bonds (distance) C4'-P energy: -47.262
bonds (distance) P-C4' energy: -56.390
flat angles C4'-P-C4' energy: -58.293
flat angles P-C4'-P energy: -48.034
tors. eta vs tors. theta energy: -70.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -888.460488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.460488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.460488 (E_RNA)
where:
Base-Base interactions energy: -618.666
where: short stacking energy: -273.987
Base-Backbone interact. energy: -0.934
local terms energy: -268.860860
where:
bonds (distance) C4'-P energy: -43.666
bonds (distance) P-C4' energy: -53.765
flat angles C4'-P-C4' energy: -58.503
flat angles P-C4'-P energy: -36.591
tors. eta vs tors. theta energy: -76.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -898.677586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.677586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.677586 (E_RNA)
where:
Base-Base interactions energy: -631.116
where: short stacking energy: -265.060
Base-Backbone interact. energy: -0.273
local terms energy: -267.288435
where:
bonds (distance) C4'-P energy: -51.315
bonds (distance) P-C4' energy: -40.589
flat angles C4'-P-C4' energy: -56.804
flat angles P-C4'-P energy: -34.375
tors. eta vs tors. theta energy: -84.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -806.671756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.671756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.671756 (E_RNA)
where:
Base-Base interactions energy: -544.952
where: short stacking energy: -230.510
Base-Backbone interact. energy: -0.197
local terms energy: -261.522635
where:
bonds (distance) C4'-P energy: -48.708
bonds (distance) P-C4' energy: -55.563
flat angles C4'-P-C4' energy: -53.226
flat angles P-C4'-P energy: -37.340
tors. eta vs tors. theta energy: -66.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -771.007997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.007997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.007997 (E_RNA)
where:
Base-Base interactions energy: -543.741
where: short stacking energy: -235.849
Base-Backbone interact. energy: -1.030
local terms energy: -226.236720
where:
bonds (distance) C4'-P energy: -41.509
bonds (distance) P-C4' energy: -39.118
flat angles C4'-P-C4' energy: -47.513
flat angles P-C4'-P energy: -31.237
tors. eta vs tors. theta energy: -66.860
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: 175
Temperature: 1.200000
Total energy: -719.032466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.032466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.032466 (E_RNA)
where:
Base-Base interactions energy: -503.133
where: short stacking energy: -201.722
Base-Backbone interact. energy: -0.328
local terms energy: -215.571767
where:
bonds (distance) C4'-P energy: -44.236
bonds (distance) P-C4' energy: -41.014
flat angles C4'-P-C4' energy: -44.359
flat angles P-C4'-P energy: -30.929
tors. eta vs tors. theta energy: -55.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -641.636127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.636127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.636127 (E_RNA)
where:
Base-Base interactions energy: -427.770
where: short stacking energy: -185.937
Base-Backbone interact. energy: -0.774
local terms energy: -213.091879
where:
bonds (distance) C4'-P energy: -47.712
bonds (distance) P-C4' energy: -41.528
flat angles C4'-P-C4' energy: -57.282
flat angles P-C4'-P energy: -21.834
tors. eta vs tors. theta energy: -44.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -393.454797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.454797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.454797 (E_RNA)
where:
Base-Base interactions energy: -217.346
where: short stacking energy: -101.479
Base-Backbone interact. energy: -0.389
local terms energy: -175.720360
where:
bonds (distance) C4'-P energy: -51.931
bonds (distance) P-C4' energy: -40.575
flat angles C4'-P-C4' energy: -38.040
flat angles P-C4'-P energy: -33.992
tors. eta vs tors. theta energy: -11.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -235.612344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.612344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.612344 (E_RNA)
where:
Base-Base interactions energy: -85.330
where: short stacking energy: -72.327
Base-Backbone interact. energy: 1.786
local terms energy: -152.067690
where:
bonds (distance) C4'-P energy: -41.384
bonds (distance) P-C4' energy: -42.802
flat angles C4'-P-C4' energy: -51.059
flat angles P-C4'-P energy: -21.033
tors. eta vs tors. theta energy: 4.210
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: 8
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -964.923201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.923201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.923201 (E_RNA)
where:
Base-Base interactions energy: -667.221
where: short stacking energy: -282.332
Base-Backbone interact. energy: -1.496
local terms energy: -296.205930
where:
bonds (distance) C4'-P energy: -53.021
bonds (distance) P-C4' energy: -48.501
flat angles C4'-P-C4' energy: -64.623
flat angles P-C4'-P energy: -40.795
tors. eta vs tors. theta energy: -89.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -917.474733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.474733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.474733 (E_RNA)
where:
Base-Base interactions energy: -638.851
where: short stacking energy: -269.618
Base-Backbone interact. energy: -0.851
local terms energy: -277.773422
where:
bonds (distance) C4'-P energy: -54.461
bonds (distance) P-C4' energy: -50.645
flat angles C4'-P-C4' energy: -58.364
flat angles P-C4'-P energy: -37.685
tors. eta vs tors. theta energy: -76.617
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: 176
Temperature: 1.000000
Total energy: -896.157091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.157091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.157091 (E_RNA)
where:
Base-Base interactions energy: -627.794
where: short stacking energy: -272.027
Base-Backbone interact. energy: -1.563
local terms energy: -266.800162
where:
bonds (distance) C4'-P energy: -41.220
bonds (distance) P-C4' energy: -44.578
flat angles C4'-P-C4' energy: -58.608
flat angles P-C4'-P energy: -37.673
tors. eta vs tors. theta energy: -84.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -881.547430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.547430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.547430 (E_RNA)
where:
Base-Base interactions energy: -617.346
where: short stacking energy: -241.399
Base-Backbone interact. energy: -0.995
local terms energy: -263.206669
where:
bonds (distance) C4'-P energy: -46.761
bonds (distance) P-C4' energy: -49.147
flat angles C4'-P-C4' energy: -52.677
flat angles P-C4'-P energy: -39.010
tors. eta vs tors. theta energy: -75.612
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: 5, replica: 3
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -782.890324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.890324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.890324 (E_RNA)
where:
Base-Base interactions energy: -547.895
where: short stacking energy: -231.433
Base-Backbone interact. energy: -1.124
local terms energy: -233.871293
where:
bonds (distance) C4'-P energy: -44.410
bonds (distance) P-C4' energy: -41.865
flat angles C4'-P-C4' energy: -51.891
flat angles P-C4'-P energy: -32.578
tors. eta vs tors. theta energy: -63.128
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: 6, replica: 10
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -739.541204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.541204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.541204 (E_RNA)
where:
Base-Base interactions energy: -491.376
where: short stacking energy: -205.378
Base-Backbone interact. energy: -3.096
local terms energy: -245.069267
where:
bonds (distance) C4'-P energy: -46.112
bonds (distance) P-C4' energy: -47.447
flat angles C4'-P-C4' energy: -53.820
flat angles P-C4'-P energy: -40.131
tors. eta vs tors. theta energy: -57.558
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: 4
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -711.785471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.785471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.785471 (E_RNA)
where:
Base-Base interactions energy: -476.175
where: short stacking energy: -204.564
Base-Backbone interact. energy: -0.991
local terms energy: -234.619358
where:
bonds (distance) C4'-P energy: -40.811
bonds (distance) P-C4' energy: -38.772
flat angles C4'-P-C4' energy: -59.284
flat angles P-C4'-P energy: -36.788
tors. eta vs tors. theta energy: -58.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -631.753344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.753344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.753344 (E_RNA)
where:
Base-Base interactions energy: -415.316
where: short stacking energy: -168.470
Base-Backbone interact. energy: -0.561
local terms energy: -215.876977
where:
bonds (distance) C4'-P energy: -47.098
bonds (distance) P-C4' energy: -45.439
flat angles C4'-P-C4' energy: -49.113
flat angles P-C4'-P energy: -31.219
tors. eta vs tors. theta energy: -43.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -367.435566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.435566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.435566 (E_RNA)
where:
Base-Base interactions energy: -199.947
where: short stacking energy: -109.872
Base-Backbone interact. energy: 1.374
local terms energy: -168.862202
where:
bonds (distance) C4'-P energy: -42.722
bonds (distance) P-C4' energy: -38.971
flat angles C4'-P-C4' energy: -46.149
flat angles P-C4'-P energy: -22.999
tors. eta vs tors. theta energy: -18.022
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: 10, replica: 6
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -223.238202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.238202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.238202 (E_RNA)
where:
Base-Base interactions energy: -85.620
where: short stacking energy: -72.410
Base-Backbone interact. energy: -1.186
local terms energy: -136.431555
where:
bonds (distance) C4'-P energy: -44.841
bonds (distance) P-C4' energy: -39.290
flat angles C4'-P-C4' energy: -32.810
flat angles P-C4'-P energy: -6.977
tors. eta vs tors. theta energy: -12.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -955.015661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.015661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.015661 (E_RNA)
where:
Base-Base interactions energy: -661.211
where: short stacking energy: -286.287
Base-Backbone interact. energy: -0.302
local terms energy: -293.501964
where:
bonds (distance) C4'-P energy: -46.388
bonds (distance) P-C4' energy: -57.617
flat angles C4'-P-C4' energy: -62.893
flat angles P-C4'-P energy: -38.777
tors. eta vs tors. theta energy: -87.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -917.732878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.732878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.732878 (E_RNA)
where:
Base-Base interactions energy: -646.714
where: short stacking energy: -280.227
Base-Backbone interact. energy: -0.475
local terms energy: -270.543657
where:
bonds (distance) C4'-P energy: -46.389
bonds (distance) P-C4' energy: -46.497
flat angles C4'-P-C4' energy: -60.307
flat angles P-C4'-P energy: -39.969
tors. eta vs tors. theta energy: -77.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -905.935237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.935237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.935237 (E_RNA)
where:
Base-Base interactions energy: -614.962
where: short stacking energy: -264.163
Base-Backbone interact. energy: 0.647
local terms energy: -291.620490
where:
bonds (distance) C4'-P energy: -51.354
bonds (distance) P-C4' energy: -54.750
flat angles C4'-P-C4' energy: -59.959
flat angles P-C4'-P energy: -44.768
tors. eta vs tors. theta energy: -80.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -858.470507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.470507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.470507 (E_RNA)
where:
Base-Base interactions energy: -606.523
where: short stacking energy: -254.235
Base-Backbone interact. energy: -0.689
local terms energy: -251.258504
where:
bonds (distance) C4'-P energy: -43.785
bonds (distance) P-C4' energy: -41.531
flat angles C4'-P-C4' energy: -48.155
flat angles P-C4'-P energy: -41.221
tors. eta vs tors. theta energy: -76.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -809.052898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.052898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.052898 (E_RNA)
where:
Base-Base interactions energy: -553.641
where: short stacking energy: -217.813
Base-Backbone interact. energy: -1.503
local terms energy: -253.908442
where:
bonds (distance) C4'-P energy: -51.356
bonds (distance) P-C4' energy: -60.562
flat angles C4'-P-C4' energy: -57.205
flat angles P-C4'-P energy: -29.739
tors. eta vs tors. theta energy: -55.047
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: 10
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -748.058026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.058026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.058026 (E_RNA)
where:
Base-Base interactions energy: -518.955
where: short stacking energy: -209.372
Base-Backbone interact. energy: -0.479
local terms energy: -228.623861
where:
bonds (distance) C4'-P energy: -41.621
bonds (distance) P-C4' energy: -44.534
flat angles C4'-P-C4' energy: -55.755
flat angles P-C4'-P energy: -35.825
tors. eta vs tors. theta energy: -50.889
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: 7, replica: 4
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -703.873563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.873563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.873563 (E_RNA)
where:
Base-Base interactions energy: -469.592
where: short stacking energy: -192.240
Base-Backbone interact. energy: 2.191
local terms energy: -236.473024
where:
bonds (distance) C4'-P energy: -41.212
bonds (distance) P-C4' energy: -52.009
flat angles C4'-P-C4' energy: -56.425
flat angles P-C4'-P energy: -30.978
tors. eta vs tors. theta energy: -55.848
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: 8, replica: 7
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -659.246273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.246273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.246273 (E_RNA)
where:
Base-Base interactions energy: -442.127
where: short stacking energy: -178.533
Base-Backbone interact. energy: -2.272
local terms energy: -214.847226
where:
bonds (distance) C4'-P energy: -47.065
bonds (distance) P-C4' energy: -58.122
flat angles C4'-P-C4' energy: -52.994
flat angles P-C4'-P energy: -17.085
tors. eta vs tors. theta energy: -39.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -390.598728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.598728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.598728 (E_RNA)
where:
Base-Base interactions energy: -219.243
where: short stacking energy: -119.163
Base-Backbone interact. energy: -1.152
local terms energy: -170.203629
where:
bonds (distance) C4'-P energy: -45.124
bonds (distance) P-C4' energy: -38.530
flat angles C4'-P-C4' energy: -38.956
flat angles P-C4'-P energy: -32.028
tors. eta vs tors. theta energy: -15.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -230.805565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.805565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.805565 (E_RNA)
where:
Base-Base interactions energy: -95.805
where: short stacking energy: -74.445
Base-Backbone interact. energy: -1.182
local terms energy: -133.818469
where:
bonds (distance) C4'-P energy: -43.445
bonds (distance) P-C4' energy: -39.227
flat angles C4'-P-C4' energy: -37.163
flat angles P-C4'-P energy: -22.182
tors. eta vs tors. theta energy: 8.199
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: 8
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -946.935418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.935418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.935418 (E_RNA)
where:
Base-Base interactions energy: -655.711
where: short stacking energy: -266.398
Base-Backbone interact. energy: -1.369
local terms energy: -289.855212
where:
bonds (distance) C4'-P energy: -52.016
bonds (distance) P-C4' energy: -55.174
flat angles C4'-P-C4' energy: -53.203
flat angles P-C4'-P energy: -44.373
tors. eta vs tors. theta energy: -85.088
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: 178
Temperature: 0.950000
Total energy: -938.085499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.085499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.085499 (E_RNA)
where:
Base-Base interactions energy: -647.966
where: short stacking energy: -272.421
Base-Backbone interact. energy: -0.777
local terms energy: -289.342816
where:
bonds (distance) C4'-P energy: -50.462
bonds (distance) P-C4' energy: -53.459
flat angles C4'-P-C4' energy: -65.140
flat angles P-C4'-P energy: -41.882
tors. eta vs tors. theta energy: -78.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -919.089101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.089101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.089101 (E_RNA)
where:
Base-Base interactions energy: -644.791
where: short stacking energy: -283.359
Base-Backbone interact. energy: -1.785
local terms energy: -272.512269
where:
bonds (distance) C4'-P energy: -50.423
bonds (distance) P-C4' energy: -48.467
flat angles C4'-P-C4' energy: -57.553
flat angles P-C4'-P energy: -36.956
tors. eta vs tors. theta energy: -79.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -853.326068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.326068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.326068 (E_RNA)
where:
Base-Base interactions energy: -600.758
where: short stacking energy: -262.025
Base-Backbone interact. energy: -0.417
local terms energy: -252.151048
where:
bonds (distance) C4'-P energy: -44.910
bonds (distance) P-C4' energy: -45.649
flat angles C4'-P-C4' energy: -49.926
flat angles P-C4'-P energy: -30.293
tors. eta vs tors. theta energy: -81.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -804.808365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.808365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.808365 (E_RNA)
where:
Base-Base interactions energy: -547.722
where: short stacking energy: -230.362
Base-Backbone interact. energy: -1.017
local terms energy: -256.068989
where:
bonds (distance) C4'-P energy: -44.860
bonds (distance) P-C4' energy: -55.317
flat angles C4'-P-C4' energy: -43.925
flat angles P-C4'-P energy: -40.527
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: 6, replica: 10
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -762.279025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.279025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.279025 (E_RNA)
where:
Base-Base interactions energy: -511.587
where: short stacking energy: -224.137
Base-Backbone interact. energy: 2.196
local terms energy: -252.888385
where:
bonds (distance) C4'-P energy: -41.054
bonds (distance) P-C4' energy: -51.807
flat angles C4'-P-C4' energy: -50.581
flat angles P-C4'-P energy: -39.317
tors. eta vs tors. theta energy: -70.130
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: 4
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -703.728527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.728527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.728527 (E_RNA)
where:
Base-Base interactions energy: -496.163
where: short stacking energy: -199.491
Base-Backbone interact. energy: -0.624
local terms energy: -206.940915
where:
bonds (distance) C4'-P energy: -49.905
bonds (distance) P-C4' energy: -41.899
flat angles C4'-P-C4' energy: -40.164
flat angles P-C4'-P energy: -29.680
tors. eta vs tors. theta energy: -45.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -661.477316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.477316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.477316 (E_RNA)
where:
Base-Base interactions energy: -437.416
where: short stacking energy: -170.593
Base-Backbone interact. energy: -0.175
local terms energy: -223.885886
where:
bonds (distance) C4'-P energy: -38.825
bonds (distance) P-C4' energy: -52.713
flat angles C4'-P-C4' energy: -50.497
flat angles P-C4'-P energy: -35.083
tors. eta vs tors. theta energy: -46.768
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: 178
Temperature: 1.300000
Total energy: -396.743336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.743336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.743336 (E_RNA)
where:
Base-Base interactions energy: -225.757
where: short stacking energy: -111.284
Base-Backbone interact. energy: 4.896
local terms energy: -175.881863
where:
bonds (distance) C4'-P energy: -35.075
bonds (distance) P-C4' energy: -40.615
flat angles C4'-P-C4' energy: -50.786
flat angles P-C4'-P energy: -29.410
tors. eta vs tors. theta energy: -19.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -215.020730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.020730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.020730 (E_RNA)
where:
Base-Base interactions energy: -71.828
where: short stacking energy: -51.152
Base-Backbone interact. energy: 0.106
local terms energy: -143.298156
where:
bonds (distance) C4'-P energy: -42.810
bonds (distance) P-C4' energy: -42.443
flat angles C4'-P-C4' energy: -45.233
flat angles P-C4'-P energy: -27.831
tors. eta vs tors. theta energy: 15.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -971.151730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.151730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.151730 (E_RNA)
where:
Base-Base interactions energy: -674.579
where: short stacking energy: -297.879
Base-Backbone interact. energy: -1.568
local terms energy: -295.004470
where:
bonds (distance) C4'-P energy: -55.522
bonds (distance) P-C4' energy: -49.855
flat angles C4'-P-C4' energy: -60.350
flat angles P-C4'-P energy: -40.484
tors. eta vs tors. theta energy: -88.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -938.463159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.463159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.463159 (E_RNA)
where:
Base-Base interactions energy: -663.126
where: short stacking energy: -271.777
Base-Backbone interact. energy: -0.919
local terms energy: -274.417920
where:
bonds (distance) C4'-P energy: -49.737
bonds (distance) P-C4' energy: -51.821
flat angles C4'-P-C4' energy: -56.001
flat angles P-C4'-P energy: -44.037
tors. eta vs tors. theta energy: -72.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -891.378111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.378111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.378111 (E_RNA)
where:
Base-Base interactions energy: -619.083
where: short stacking energy: -264.372
Base-Backbone interact. energy: 3.116
local terms energy: -275.411662
where:
bonds (distance) C4'-P energy: -51.979
bonds (distance) P-C4' energy: -57.826
flat angles C4'-P-C4' energy: -58.497
flat angles P-C4'-P energy: -32.040
tors. eta vs tors. theta energy: -75.070
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: 4, replica: 5
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -864.364826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.364826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.364826 (E_RNA)
where:
Base-Base interactions energy: -600.789
where: short stacking energy: -252.778
Base-Backbone interact. energy: -2.240
local terms energy: -261.335786
where:
bonds (distance) C4'-P energy: -47.867
bonds (distance) P-C4' energy: -44.237
flat angles C4'-P-C4' energy: -55.146
flat angles P-C4'-P energy: -40.095
tors. eta vs tors. theta energy: -73.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -778.055251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.055251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.055251 (E_RNA)
where:
Base-Base interactions energy: -541.549
where: short stacking energy: -232.221
Base-Backbone interact. energy: -2.573
local terms energy: -233.932831
where:
bonds (distance) C4'-P energy: -40.084
bonds (distance) P-C4' energy: -46.027
flat angles C4'-P-C4' energy: -51.956
flat angles P-C4'-P energy: -39.313
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: 6, replica: 10
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -742.710386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.710386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.710386 (E_RNA)
where:
Base-Base interactions energy: -518.455
where: short stacking energy: -199.121
Base-Backbone interact. energy: 2.140
local terms energy: -226.395607
where:
bonds (distance) C4'-P energy: -40.560
bonds (distance) P-C4' energy: -38.396
flat angles C4'-P-C4' energy: -54.946
flat angles P-C4'-P energy: -34.190
tors. eta vs tors. theta energy: -58.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -746.025155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.025155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.025155 (E_RNA)
where:
Base-Base interactions energy: -514.228
where: short stacking energy: -212.955
Base-Backbone interact. energy: -1.076
local terms energy: -230.721209
where:
bonds (distance) C4'-P energy: -37.688
bonds (distance) P-C4' energy: -45.114
flat angles C4'-P-C4' energy: -59.383
flat angles P-C4'-P energy: -27.544
tors. eta vs tors. theta energy: -60.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -667.719167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.719167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.719167 (E_RNA)
where:
Base-Base interactions energy: -449.595
where: short stacking energy: -202.794
Base-Backbone interact. energy: 0.618
local terms energy: -218.742075
where:
bonds (distance) C4'-P energy: -32.979
bonds (distance) P-C4' energy: -39.738
flat angles C4'-P-C4' energy: -57.037
flat angles P-C4'-P energy: -37.557
tors. eta vs tors. theta energy: -51.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -380.803781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.803781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.803781 (E_RNA)
where:
Base-Base interactions energy: -200.985
where: short stacking energy: -102.809
Base-Backbone interact. energy: 1.465
local terms energy: -181.283573
where:
bonds (distance) C4'-P energy: -49.107
bonds (distance) P-C4' energy: -54.267
flat angles C4'-P-C4' energy: -42.577
flat angles P-C4'-P energy: -26.291
tors. eta vs tors. theta energy: -9.041
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: 6
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -230.821490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.821490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.821490 (E_RNA)
where:
Base-Base interactions energy: -86.894
where: short stacking energy: -78.963
Base-Backbone interact. energy: -0.280
local terms energy: -143.648025
where:
bonds (distance) C4'-P energy: -45.925
bonds (distance) P-C4' energy: -55.512
flat angles C4'-P-C4' energy: -21.908
flat angles P-C4'-P energy: -15.548
tors. eta vs tors. theta energy: -4.754
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: 1, replica: 8
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -960.371776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.371776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.371776 (E_RNA)
where:
Base-Base interactions energy: -662.330
where: short stacking energy: -279.184
Base-Backbone interact. energy: -0.421
local terms energy: -297.620998
where:
bonds (distance) C4'-P energy: -59.230
bonds (distance) P-C4' energy: -47.406
flat angles C4'-P-C4' energy: -65.508
flat angles P-C4'-P energy: -37.585
tors. eta vs tors. theta energy: -87.892
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: 2
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -929.981173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.981173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.981173 (E_RNA)
where:
Base-Base interactions energy: -663.381
where: short stacking energy: -275.327
Base-Backbone interact. energy: -2.149
local terms energy: -264.451000
where:
bonds (distance) C4'-P energy: -50.389
bonds (distance) P-C4' energy: -48.034
flat angles C4'-P-C4' energy: -55.936
flat angles P-C4'-P energy: -37.256
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: 3, replica: 5
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -880.625813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.625813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.625813 (E_RNA)
where:
Base-Base interactions energy: -592.184
where: short stacking energy: -251.692
Base-Backbone interact. energy: -0.600
local terms energy: -287.841566
where:
bonds (distance) C4'-P energy: -50.016
bonds (distance) P-C4' energy: -54.473
flat angles C4'-P-C4' energy: -63.400
flat angles P-C4'-P energy: -42.821
tors. eta vs tors. theta energy: -77.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -877.302185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.302185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.302185 (E_RNA)
where:
Base-Base interactions energy: -607.442
where: short stacking energy: -251.857
Base-Backbone interact. energy: -0.142
local terms energy: -269.717855
where:
bonds (distance) C4'-P energy: -45.754
bonds (distance) P-C4' energy: -53.247
flat angles C4'-P-C4' energy: -57.443
flat angles P-C4'-P energy: -36.581
tors. eta vs tors. theta energy: -76.692
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: 10
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -788.063520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.063520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.063520 (E_RNA)
where:
Base-Base interactions energy: -543.935
where: short stacking energy: -213.420
Base-Backbone interact. energy: 0.619
local terms energy: -244.747134
where:
bonds (distance) C4'-P energy: -44.260
bonds (distance) P-C4' energy: -52.311
flat angles C4'-P-C4' energy: -53.443
flat angles P-C4'-P energy: -34.955
tors. eta vs tors. theta energy: -59.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -746.548949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.548949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.548949 (E_RNA)
where:
Base-Base interactions energy: -510.034
where: short stacking energy: -211.189
Base-Backbone interact. energy: -0.499
local terms energy: -236.015549
where:
bonds (distance) C4'-P energy: -35.594
bonds (distance) P-C4' energy: -55.656
flat angles C4'-P-C4' energy: -49.636
flat angles P-C4'-P energy: -34.200
tors. eta vs tors. theta energy: -60.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -757.454783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.454783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.454783 (E_RNA)
where:
Base-Base interactions energy: -516.365
where: short stacking energy: -219.666
Base-Backbone interact. energy: -0.176
local terms energy: -240.913987
where:
bonds (distance) C4'-P energy: -46.623
bonds (distance) P-C4' energy: -45.875
flat angles C4'-P-C4' energy: -48.377
flat angles P-C4'-P energy: -36.048
tors. eta vs tors. theta energy: -63.991
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: 180
Temperature: 1.250000
Total energy: -665.502847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.502847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.502847 (E_RNA)
where:
Base-Base interactions energy: -473.603
where: short stacking energy: -190.011
Base-Backbone interact. energy: -0.944
local terms energy: -190.955637
where:
bonds (distance) C4'-P energy: -37.524
bonds (distance) P-C4' energy: -43.551
flat angles C4'-P-C4' energy: -42.899
flat angles P-C4'-P energy: -26.610
tors. eta vs tors. theta energy: -40.372
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: 180
Temperature: 1.300000
Total energy: -403.734709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.734709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.734709 (E_RNA)
where:
Base-Base interactions energy: -221.154
where: short stacking energy: -115.656
Base-Backbone interact. energy: 1.586
local terms energy: -184.166388
where:
bonds (distance) C4'-P energy: -49.330
bonds (distance) P-C4' energy: -57.426
flat angles C4'-P-C4' energy: -45.914
flat angles P-C4'-P energy: -16.514
tors. eta vs tors. theta energy: -14.982
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: 6
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -246.238153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.238153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.238153 (E_RNA)
where:
Base-Base interactions energy: -90.257
where: short stacking energy: -82.431
Base-Backbone interact. energy: 0.669
local terms energy: -156.650411
where:
bonds (distance) C4'-P energy: -47.359
bonds (distance) P-C4' energy: -41.274
flat angles C4'-P-C4' energy: -37.927
flat angles P-C4'-P energy: -21.052
tors. eta vs tors. theta energy: -9.038
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: 8
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -955.737572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.737572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.737572 (E_RNA)
where:
Base-Base interactions energy: -670.326
where: short stacking energy: -296.598
Base-Backbone interact. energy: -0.269
local terms energy: -285.142017
where:
bonds (distance) C4'-P energy: -53.309
bonds (distance) P-C4' energy: -41.389
flat angles C4'-P-C4' energy: -59.860
flat angles P-C4'-P energy: -41.669
tors. eta vs tors. theta energy: -88.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -927.841827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.841827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.841827 (E_RNA)
where:
Base-Base interactions energy: -628.386
where: short stacking energy: -262.895
Base-Backbone interact. energy: -1.267
local terms energy: -298.189482
where:
bonds (distance) C4'-P energy: -53.648
bonds (distance) P-C4' energy: -52.891
flat angles C4'-P-C4' energy: -63.335
flat angles P-C4'-P energy: -46.000
tors. eta vs tors. theta energy: -82.315
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: 2
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -913.264455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.264455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.264455 (E_RNA)
where:
Base-Base interactions energy: -633.344
where: short stacking energy: -268.058
Base-Backbone interact. energy: 0.297
local terms energy: -280.217007
where:
bonds (distance) C4'-P energy: -52.641
bonds (distance) P-C4' energy: -44.336
flat angles C4'-P-C4' energy: -60.101
flat angles P-C4'-P energy: -47.141
tors. eta vs tors. theta energy: -75.998
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: 4, replica: 1
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -905.033511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.033511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.033511 (E_RNA)
where:
Base-Base interactions energy: -637.101
where: short stacking energy: -259.163
Base-Backbone interact. energy: 0.123
local terms energy: -268.056433
where:
bonds (distance) C4'-P energy: -48.619
bonds (distance) P-C4' energy: -47.998
flat angles C4'-P-C4' energy: -59.208
flat angles P-C4'-P energy: -37.705
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: 5, replica: 10
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -792.428332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.428332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.428332 (E_RNA)
where:
Base-Base interactions energy: -564.234
where: short stacking energy: -236.219
Base-Backbone interact. energy: 0.205
local terms energy: -228.399477
where:
bonds (distance) C4'-P energy: -36.374
bonds (distance) P-C4' energy: -33.999
flat angles C4'-P-C4' energy: -57.568
flat angles P-C4'-P energy: -40.013
tors. eta vs tors. theta energy: -60.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -766.862371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.862371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.862371 (E_RNA)
where:
Base-Base interactions energy: -525.472
where: short stacking energy: -220.686
Base-Backbone interact. energy: -0.796
local terms energy: -240.593984
where:
bonds (distance) C4'-P energy: -50.515
bonds (distance) P-C4' energy: -33.893
flat angles C4'-P-C4' energy: -50.826
flat angles P-C4'-P energy: -41.507
tors. eta vs tors. theta energy: -63.853
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: 7, replica: 3
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -738.443240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.443240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.443240 (E_RNA)
where:
Base-Base interactions energy: -504.157
where: short stacking energy: -218.337
Base-Backbone interact. energy: 0.296
local terms energy: -234.582412
where:
bonds (distance) C4'-P energy: -54.480
bonds (distance) P-C4' energy: -46.170
flat angles C4'-P-C4' energy: -45.256
flat angles P-C4'-P energy: -34.124
tors. eta vs tors. theta energy: -54.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -683.238351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.238351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.238351 (E_RNA)
where:
Base-Base interactions energy: -479.310
where: short stacking energy: -205.110
Base-Backbone interact. energy: -0.755
local terms energy: -203.173140
where:
bonds (distance) C4'-P energy: -38.116
bonds (distance) P-C4' energy: -49.196
flat angles C4'-P-C4' energy: -49.225
flat angles P-C4'-P energy: -24.685
tors. eta vs tors. theta energy: -41.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -405.328259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.328259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.328259 (E_RNA)
where:
Base-Base interactions energy: -249.034
where: short stacking energy: -131.106
Base-Backbone interact. energy: -1.440
local terms energy: -154.854153
where:
bonds (distance) C4'-P energy: -36.929
bonds (distance) P-C4' energy: -41.425
flat angles C4'-P-C4' energy: -32.027
flat angles P-C4'-P energy: -29.042
tors. eta vs tors. theta energy: -15.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -231.923447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.923447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.923447 (E_RNA)
where:
Base-Base interactions energy: -67.042
where: short stacking energy: -50.083
Base-Backbone interact. energy: -1.150
local terms energy: -163.731374
where:
bonds (distance) C4'-P energy: -49.537
bonds (distance) P-C4' energy: -55.763
flat angles C4'-P-C4' energy: -33.454
flat angles P-C4'-P energy: -25.204
tors. eta vs tors. theta energy: 0.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -961.421332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.421332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.421332 (E_RNA)
where:
Base-Base interactions energy: -668.183
where: short stacking energy: -278.362
Base-Backbone interact. energy: -0.850
local terms energy: -292.387905
where:
bonds (distance) C4'-P energy: -56.645
bonds (distance) P-C4' energy: -46.855
flat angles C4'-P-C4' energy: -59.155
flat angles P-C4'-P energy: -41.532
tors. eta vs tors. theta energy: -88.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -929.675242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.675242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.675242 (E_RNA)
where:
Base-Base interactions energy: -639.266
where: short stacking energy: -282.832
Base-Backbone interact. energy: -0.505
local terms energy: -289.904056
where:
bonds (distance) C4'-P energy: -53.544
bonds (distance) P-C4' energy: -42.720
flat angles C4'-P-C4' energy: -60.315
flat angles P-C4'-P energy: -43.700
tors. eta vs tors. theta energy: -89.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -887.426084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.426084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.426084 (E_RNA)
where:
Base-Base interactions energy: -616.167
where: short stacking energy: -263.273
Base-Backbone interact. energy: 0.055
local terms energy: -271.313530
where:
bonds (distance) C4'-P energy: -51.329
bonds (distance) P-C4' energy: -45.485
flat angles C4'-P-C4' energy: -59.103
flat angles P-C4'-P energy: -37.888
tors. eta vs tors. theta energy: -77.509
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: 4, replica: 1
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -905.723821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.723821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.723821 (E_RNA)
where:
Base-Base interactions energy: -638.926
where: short stacking energy: -271.054
Base-Backbone interact. energy: 1.201
local terms energy: -267.997941
where:
bonds (distance) C4'-P energy: -41.017
bonds (distance) P-C4' energy: -50.814
flat angles C4'-P-C4' energy: -60.316
flat angles P-C4'-P energy: -39.185
tors. eta vs tors. theta energy: -76.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -788.014386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.014386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.014386 (E_RNA)
where:
Base-Base interactions energy: -551.570
where: short stacking energy: -227.003
Base-Backbone interact. energy: 0.306
local terms energy: -236.750662
where:
bonds (distance) C4'-P energy: -49.626
bonds (distance) P-C4' energy: -43.578
flat angles C4'-P-C4' energy: -48.391
flat angles P-C4'-P energy: -29.650
tors. eta vs tors. theta energy: -65.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -760.537299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.537299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.537299 (E_RNA)
where:
Base-Base interactions energy: -535.656
where: short stacking energy: -216.569
Base-Backbone interact. energy: 2.440
local terms energy: -227.321553
where:
bonds (distance) C4'-P energy: -48.994
bonds (distance) P-C4' energy: -41.507
flat angles C4'-P-C4' energy: -49.308
flat angles P-C4'-P energy: -26.539
tors. eta vs tors. theta energy: -60.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -711.385017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.385017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.385017 (E_RNA)
where:
Base-Base interactions energy: -508.568
where: short stacking energy: -211.102
Base-Backbone interact. energy: 1.429
local terms energy: -204.246751
where:
bonds (distance) C4'-P energy: -41.753
bonds (distance) P-C4' energy: -37.015
flat angles C4'-P-C4' energy: -51.728
flat angles P-C4'-P energy: -27.803
tors. eta vs tors. theta energy: -45.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -670.834653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.834653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.834653 (E_RNA)
where:
Base-Base interactions energy: -458.092
where: short stacking energy: -206.298
Base-Backbone interact. energy: -0.755
local terms energy: -211.987162
where:
bonds (distance) C4'-P energy: -38.234
bonds (distance) P-C4' energy: -47.374
flat angles C4'-P-C4' energy: -43.127
flat angles P-C4'-P energy: -23.513
tors. eta vs tors. theta energy: -59.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -362.515000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.515000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.515000 (E_RNA)
where:
Base-Base interactions energy: -197.291
where: short stacking energy: -101.033
Base-Backbone interact. energy: -0.654
local terms energy: -164.569310
where:
bonds (distance) C4'-P energy: -41.337
bonds (distance) P-C4' energy: -41.394
flat angles C4'-P-C4' energy: -44.404
flat angles P-C4'-P energy: -25.753
tors. eta vs tors. theta energy: -11.681
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: 6
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -217.620786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.620786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.620786 (E_RNA)
where:
Base-Base interactions energy: -96.493
where: short stacking energy: -84.417
Base-Backbone interact. energy: 1.540
local terms energy: -122.667106
where:
bonds (distance) C4'-P energy: -41.270
bonds (distance) P-C4' energy: -34.787
flat angles C4'-P-C4' energy: -36.732
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: 1.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -951.032818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.032818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.032818 (E_RNA)
where:
Base-Base interactions energy: -666.217
where: short stacking energy: -281.410
Base-Backbone interact. energy: -2.480
local terms energy: -282.336135
where:
bonds (distance) C4'-P energy: -46.660
bonds (distance) P-C4' energy: -46.724
flat angles C4'-P-C4' energy: -59.116
flat angles P-C4'-P energy: -42.784
tors. eta vs tors. theta energy: -87.053
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: 2
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -921.528586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.528586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.528586 (E_RNA)
where:
Base-Base interactions energy: -648.717
where: short stacking energy: -272.725
Base-Backbone interact. energy: -1.137
local terms energy: -271.674374
where:
bonds (distance) C4'-P energy: -49.803
bonds (distance) P-C4' energy: -50.458
flat angles C4'-P-C4' energy: -55.893
flat angles P-C4'-P energy: -41.466
tors. eta vs tors. theta energy: -74.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -890.273299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.273299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.273299 (E_RNA)
where:
Base-Base interactions energy: -604.177
where: short stacking energy: -264.926
Base-Backbone interact. energy: -0.257
local terms energy: -285.839199
where:
bonds (distance) C4'-P energy: -49.205
bonds (distance) P-C4' energy: -51.988
flat angles C4'-P-C4' energy: -60.832
flat angles P-C4'-P energy: -39.557
tors. eta vs tors. theta energy: -84.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -891.367645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.367645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.367645 (E_RNA)
where:
Base-Base interactions energy: -621.662
where: short stacking energy: -260.232
Base-Backbone interact. energy: 1.148
local terms energy: -270.854005
where:
bonds (distance) C4'-P energy: -52.286
bonds (distance) P-C4' energy: -45.480
flat angles C4'-P-C4' energy: -54.943
flat angles P-C4'-P energy: -34.015
tors. eta vs tors. theta energy: -84.130
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: 4
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -772.291392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.291392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.291392 (E_RNA)
where:
Base-Base interactions energy: -525.116
where: short stacking energy: -214.709
Base-Backbone interact. energy: -0.233
local terms energy: -246.942712
where:
bonds (distance) C4'-P energy: -39.217
bonds (distance) P-C4' energy: -53.680
flat angles C4'-P-C4' energy: -61.200
flat angles P-C4'-P energy: -34.070
tors. eta vs tors. theta energy: -58.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -736.857519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.857519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.857519 (E_RNA)
where:
Base-Base interactions energy: -518.511
where: short stacking energy: -217.659
Base-Backbone interact. energy: -0.557
local terms energy: -217.790084
where:
bonds (distance) C4'-P energy: -38.910
bonds (distance) P-C4' energy: -42.635
flat angles C4'-P-C4' energy: -39.459
flat angles P-C4'-P energy: -35.529
tors. eta vs tors. theta energy: -61.257
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: 10
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -749.979481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.979481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.979481 (E_RNA)
where:
Base-Base interactions energy: -522.600
where: short stacking energy: -206.796
Base-Backbone interact. energy: -0.168
local terms energy: -227.211695
where:
bonds (distance) C4'-P energy: -47.393
bonds (distance) P-C4' energy: -42.835
flat angles C4'-P-C4' energy: -51.206
flat angles P-C4'-P energy: -30.190
tors. eta vs tors. theta energy: -55.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -701.740063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.740063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.740063 (E_RNA)
where:
Base-Base interactions energy: -479.271
where: short stacking energy: -197.860
Base-Backbone interact. energy: -0.255
local terms energy: -222.213855
where:
bonds (distance) C4'-P energy: -42.761
bonds (distance) P-C4' energy: -47.953
flat angles C4'-P-C4' energy: -45.460
flat angles P-C4'-P energy: -30.015
tors. eta vs tors. theta energy: -56.026
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: 183
Temperature: 1.300000
Total energy: -354.965311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.965311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.965311 (E_RNA)
where:
Base-Base interactions energy: -173.335
where: short stacking energy: -95.479
Base-Backbone interact. energy: -1.509
local terms energy: -180.121861
where:
bonds (distance) C4'-P energy: -48.874
bonds (distance) P-C4' energy: -40.418
flat angles C4'-P-C4' energy: -46.964
flat angles P-C4'-P energy: -30.307
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: 6
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -244.291584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.291584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.291584 (E_RNA)
where:
Base-Base interactions energy: -102.177
where: short stacking energy: -87.962
Base-Backbone interact. energy: 1.042
local terms energy: -143.156599
where:
bonds (distance) C4'-P energy: -40.985
bonds (distance) P-C4' energy: -40.992
flat angles C4'-P-C4' energy: -41.934
flat angles P-C4'-P energy: -19.822
tors. eta vs tors. theta energy: 0.576
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: 5
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -945.174861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.174861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.174861 (E_RNA)
where:
Base-Base interactions energy: -646.397
where: short stacking energy: -263.533
Base-Backbone interact. energy: 0.170
local terms energy: -298.947665
where:
bonds (distance) C4'-P energy: -63.024
bonds (distance) P-C4' energy: -53.642
flat angles C4'-P-C4' energy: -53.736
flat angles P-C4'-P energy: -39.120
tors. eta vs tors. theta energy: -89.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -917.637427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.637427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.637427 (E_RNA)
where:
Base-Base interactions energy: -629.471
where: short stacking energy: -265.360
Base-Backbone interact. energy: -1.797
local terms energy: -286.369530
where:
bonds (distance) C4'-P energy: -56.327
bonds (distance) P-C4' energy: -53.496
flat angles C4'-P-C4' energy: -60.002
flat angles P-C4'-P energy: -37.769
tors. eta vs tors. theta energy: -78.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -905.041571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.041571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.041571 (E_RNA)
where:
Base-Base interactions energy: -631.279
where: short stacking energy: -270.406
Base-Backbone interact. energy: -0.938
local terms energy: -272.824448
where:
bonds (distance) C4'-P energy: -50.844
bonds (distance) P-C4' energy: -50.817
flat angles C4'-P-C4' energy: -52.806
flat angles P-C4'-P energy: -40.113
tors. eta vs tors. theta energy: -78.244
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: 8
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -860.066077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.066077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.066077 (E_RNA)
where:
Base-Base interactions energy: -587.990
where: short stacking energy: -243.034
Base-Backbone interact. energy: -0.871
local terms energy: -271.204801
where:
bonds (distance) C4'-P energy: -39.485
bonds (distance) P-C4' energy: -57.971
flat angles C4'-P-C4' energy: -58.772
flat angles P-C4'-P energy: -39.567
tors. eta vs tors. theta energy: -75.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -767.731899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.731899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.731899 (E_RNA)
where:
Base-Base interactions energy: -530.222
where: short stacking energy: -215.792
Base-Backbone interact. energy: -0.554
local terms energy: -236.955641
where:
bonds (distance) C4'-P energy: -41.927
bonds (distance) P-C4' energy: -47.910
flat angles C4'-P-C4' energy: -46.431
flat angles P-C4'-P energy: -39.321
tors. eta vs tors. theta energy: -61.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -765.751274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.751274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.751274 (E_RNA)
where:
Base-Base interactions energy: -524.527
where: short stacking energy: -210.655
Base-Backbone interact. energy: -0.231
local terms energy: -240.993585
where:
bonds (distance) C4'-P energy: -48.181
bonds (distance) P-C4' energy: -55.014
flat angles C4'-P-C4' energy: -46.504
flat angles P-C4'-P energy: -30.619
tors. eta vs tors. theta energy: -60.676
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: 3
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -723.156317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.156317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.156317 (E_RNA)
where:
Base-Base interactions energy: -510.904
where: short stacking energy: -201.876
Base-Backbone interact. energy: -0.249
local terms energy: -212.003256
where:
bonds (distance) C4'-P energy: -40.985
bonds (distance) P-C4' energy: -46.171
flat angles C4'-P-C4' energy: -50.364
flat angles P-C4'-P energy: -19.384
tors. eta vs tors. theta energy: -55.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -716.557516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.557516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.557516 (E_RNA)
where:
Base-Base interactions energy: -482.375
where: short stacking energy: -195.813
Base-Backbone interact. energy: -0.374
local terms energy: -233.808631
where:
bonds (distance) C4'-P energy: -48.679
bonds (distance) P-C4' energy: -38.568
flat angles C4'-P-C4' energy: -58.471
flat angles P-C4'-P energy: -33.916
tors. eta vs tors. theta energy: -54.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -442.705101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.705101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.705101 (E_RNA)
where:
Base-Base interactions energy: -253.931
where: short stacking energy: -135.402
Base-Backbone interact. energy: -0.571
local terms energy: -188.202385
where:
bonds (distance) C4'-P energy: -39.060
bonds (distance) P-C4' energy: -49.018
flat angles C4'-P-C4' energy: -41.525
flat angles P-C4'-P energy: -30.572
tors. eta vs tors. theta energy: -28.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -225.834933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.834933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.834933 (E_RNA)
where:
Base-Base interactions energy: -78.706
where: short stacking energy: -69.432
Base-Backbone interact. energy: 0.647
local terms energy: -147.776492
where:
bonds (distance) C4'-P energy: -41.211
bonds (distance) P-C4' energy: -42.608
flat angles C4'-P-C4' energy: -32.700
flat angles P-C4'-P energy: -30.050
tors. eta vs tors. theta energy: -1.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -923.483515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.483515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.483515 (E_RNA)
where:
Base-Base interactions energy: -640.815
where: short stacking energy: -269.618
Base-Backbone interact. energy: -2.222
local terms energy: -280.446001
where:
bonds (distance) C4'-P energy: -57.179
bonds (distance) P-C4' energy: -42.679
flat angles C4'-P-C4' energy: -61.710
flat angles P-C4'-P energy: -38.769
tors. eta vs tors. theta energy: -80.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -927.880450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.880450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.880450 (E_RNA)
where:
Base-Base interactions energy: -638.312
where: short stacking energy: -271.841
Base-Backbone interact. energy: 0.353
local terms energy: -289.921332
where:
bonds (distance) C4'-P energy: -56.042
bonds (distance) P-C4' energy: -56.596
flat angles C4'-P-C4' energy: -60.006
flat angles P-C4'-P energy: -38.396
tors. eta vs tors. theta energy: -78.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -896.930192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.930192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.930192 (E_RNA)
where:
Base-Base interactions energy: -626.637
where: short stacking energy: -252.514
Base-Backbone interact. energy: -1.577
local terms energy: -268.716493
where:
bonds (distance) C4'-P energy: -65.446
bonds (distance) P-C4' energy: -40.804
flat angles C4'-P-C4' energy: -55.295
flat angles P-C4'-P energy: -32.255
tors. eta vs tors. theta energy: -74.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -870.000845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.000845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.000845 (E_RNA)
where:
Base-Base interactions energy: -595.598
where: short stacking energy: -259.673
Base-Backbone interact. energy: -2.639
local terms energy: -271.763877
where:
bonds (distance) C4'-P energy: -52.356
bonds (distance) P-C4' energy: -53.933
flat angles C4'-P-C4' energy: -55.084
flat angles P-C4'-P energy: -39.685
tors. eta vs tors. theta energy: -70.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -758.113413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.113413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.113413 (E_RNA)
where:
Base-Base interactions energy: -521.766
where: short stacking energy: -224.917
Base-Backbone interact. energy: 0.025
local terms energy: -236.372847
where:
bonds (distance) C4'-P energy: -54.220
bonds (distance) P-C4' energy: -41.748
flat angles C4'-P-C4' energy: -42.145
flat angles P-C4'-P energy: -37.414
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: 6, replica: 3
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -787.028846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.028846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.028846 (E_RNA)
where:
Base-Base interactions energy: -551.609
where: short stacking energy: -242.209
Base-Backbone interact. energy: -0.634
local terms energy: -234.786454
where:
bonds (distance) C4'-P energy: -51.572
bonds (distance) P-C4' energy: -43.125
flat angles C4'-P-C4' energy: -45.181
flat angles P-C4'-P energy: -29.402
tors. eta vs tors. theta energy: -65.508
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: 7, replica: 4
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -720.378425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.378425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.378425 (E_RNA)
where:
Base-Base interactions energy: -506.531
where: short stacking energy: -204.267
Base-Backbone interact. energy: -1.185
local terms energy: -212.662685
where:
bonds (distance) C4'-P energy: -36.951
bonds (distance) P-C4' energy: -42.892
flat angles C4'-P-C4' energy: -46.511
flat angles P-C4'-P energy: -39.901
tors. eta vs tors. theta energy: -46.407
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: 185
Temperature: 1.250000
Total energy: -674.549413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.549413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.549413 (E_RNA)
where:
Base-Base interactions energy: -464.835
where: short stacking energy: -196.183
Base-Backbone interact. energy: -1.593
local terms energy: -208.121380
where:
bonds (distance) C4'-P energy: -37.273
bonds (distance) P-C4' energy: -49.373
flat angles C4'-P-C4' energy: -55.938
flat angles P-C4'-P energy: -17.942
tors. eta vs tors. theta energy: -47.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -425.734818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.734818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.734818 (E_RNA)
where:
Base-Base interactions energy: -255.710
where: short stacking energy: -109.593
Base-Backbone interact. energy: -0.355
local terms energy: -169.669591
where:
bonds (distance) C4'-P energy: -38.322
bonds (distance) P-C4' energy: -40.225
flat angles C4'-P-C4' energy: -53.423
flat angles P-C4'-P energy: -24.593
tors. eta vs tors. theta energy: -13.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -219.126957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.126957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.126957 (E_RNA)
where:
Base-Base interactions energy: -63.567
where: short stacking energy: -55.955
Base-Backbone interact. energy: -0.859
local terms energy: -154.701208
where:
bonds (distance) C4'-P energy: -50.004
bonds (distance) P-C4' energy: -45.314
flat angles C4'-P-C4' energy: -42.840
flat angles P-C4'-P energy: -23.832
tors. eta vs tors. theta energy: 7.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -936.430695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.430695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.430695 (E_RNA)
where:
Base-Base interactions energy: -641.599
where: short stacking energy: -290.957
Base-Backbone interact. energy: -0.922
local terms energy: -293.909652
where:
bonds (distance) C4'-P energy: -49.375
bonds (distance) P-C4' energy: -58.561
flat angles C4'-P-C4' energy: -62.525
flat angles P-C4'-P energy: -38.595
tors. eta vs tors. theta energy: -84.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -931.760991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.760991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.760991 (E_RNA)
where:
Base-Base interactions energy: -642.870
where: short stacking energy: -271.384
Base-Backbone interact. energy: -1.561
local terms energy: -287.329874
where:
bonds (distance) C4'-P energy: -49.527
bonds (distance) P-C4' energy: -52.965
flat angles C4'-P-C4' energy: -58.559
flat angles P-C4'-P energy: -45.216
tors. eta vs tors. theta energy: -81.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -894.268821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.268821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.268821 (E_RNA)
where:
Base-Base interactions energy: -633.543
where: short stacking energy: -254.831
Base-Backbone interact. energy: -1.527
local terms energy: -259.197996
where:
bonds (distance) C4'-P energy: -51.352
bonds (distance) P-C4' energy: -47.676
flat angles C4'-P-C4' energy: -57.168
flat angles P-C4'-P energy: -28.343
tors. eta vs tors. theta energy: -74.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -864.619332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.619332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.619332 (E_RNA)
where:
Base-Base interactions energy: -604.719
where: short stacking energy: -243.448
Base-Backbone interact. energy: 0.385
local terms energy: -260.285138
where:
bonds (distance) C4'-P energy: -40.481
bonds (distance) P-C4' energy: -51.196
flat angles C4'-P-C4' energy: -56.051
flat angles P-C4'-P energy: -40.126
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: 5, replica: 3
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -824.840073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.840073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.840073 (E_RNA)
where:
Base-Base interactions energy: -571.572
where: short stacking energy: -253.740
Base-Backbone interact. energy: 2.120
local terms energy: -255.388517
where:
bonds (distance) C4'-P energy: -40.479
bonds (distance) P-C4' energy: -50.050
flat angles C4'-P-C4' energy: -52.611
flat angles P-C4'-P energy: -38.637
tors. eta vs tors. theta energy: -73.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -748.911675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.911675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.911675 (E_RNA)
where:
Base-Base interactions energy: -508.812
where: short stacking energy: -194.222
Base-Backbone interact. energy: -0.250
local terms energy: -239.848920
where:
bonds (distance) C4'-P energy: -50.702
bonds (distance) P-C4' energy: -51.584
flat angles C4'-P-C4' energy: -47.843
flat angles P-C4'-P energy: -37.851
tors. eta vs tors. theta energy: -51.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -730.575212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.575212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.575212 (E_RNA)
where:
Base-Base interactions energy: -523.153
where: short stacking energy: -194.189
Base-Backbone interact. energy: 0.026
local terms energy: -207.448220
where:
bonds (distance) C4'-P energy: -38.624
bonds (distance) P-C4' energy: -41.033
flat angles C4'-P-C4' energy: -46.962
flat angles P-C4'-P energy: -33.260
tors. eta vs tors. theta energy: -47.569
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: 4
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -702.973870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.973870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.973870 (E_RNA)
where:
Base-Base interactions energy: -462.261
where: short stacking energy: -182.515
Base-Backbone interact. energy: 0.352
local terms energy: -241.064738
where:
bonds (distance) C4'-P energy: -48.660
bonds (distance) P-C4' energy: -51.808
flat angles C4'-P-C4' energy: -52.622
flat angles P-C4'-P energy: -37.175
tors. eta vs tors. theta energy: -50.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -441.649830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.649830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.649830 (E_RNA)
where:
Base-Base interactions energy: -263.104
where: short stacking energy: -112.810
Base-Backbone interact. energy: -1.125
local terms energy: -177.420662
where:
bonds (distance) C4'-P energy: -33.662
bonds (distance) P-C4' energy: -47.799
flat angles C4'-P-C4' energy: -45.290
flat angles P-C4'-P energy: -26.632
tors. eta vs tors. theta energy: -24.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -237.436230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.436230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.436230 (E_RNA)
where:
Base-Base interactions energy: -75.847
where: short stacking energy: -71.431
Base-Backbone interact. energy: -0.606
local terms energy: -160.982913
where:
bonds (distance) C4'-P energy: -37.828
bonds (distance) P-C4' energy: -52.799
flat angles C4'-P-C4' energy: -42.627
flat angles P-C4'-P energy: -25.443
tors. eta vs tors. theta energy: -2.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -963.019740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.019740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.019740 (E_RNA)
where:
Base-Base interactions energy: -667.184
where: short stacking energy: -296.659
Base-Backbone interact. energy: -0.695
local terms energy: -295.140267
where:
bonds (distance) C4'-P energy: -52.766
bonds (distance) P-C4' energy: -57.768
flat angles C4'-P-C4' energy: -55.186
flat angles P-C4'-P energy: -43.288
tors. eta vs tors. theta energy: -86.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -920.698932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.698932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.698932 (E_RNA)
where:
Base-Base interactions energy: -627.663
where: short stacking energy: -272.028
Base-Backbone interact. energy: -1.195
local terms energy: -291.840701
where:
bonds (distance) C4'-P energy: -52.618
bonds (distance) P-C4' energy: -56.626
flat angles C4'-P-C4' energy: -62.734
flat angles P-C4'-P energy: -41.500
tors. eta vs tors. theta energy: -78.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -906.224620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.224620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.224620 (E_RNA)
where:
Base-Base interactions energy: -617.731
where: short stacking energy: -253.276
Base-Backbone interact. energy: -1.940
local terms energy: -286.553941
where:
bonds (distance) C4'-P energy: -56.145
bonds (distance) P-C4' energy: -53.610
flat angles C4'-P-C4' energy: -60.387
flat angles P-C4'-P energy: -36.438
tors. eta vs tors. theta energy: -79.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -852.497223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.497223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.497223 (E_RNA)
where:
Base-Base interactions energy: -591.757
where: short stacking energy: -230.099
Base-Backbone interact. energy: 0.732
local terms energy: -261.472518
where:
bonds (distance) C4'-P energy: -48.961
bonds (distance) P-C4' energy: -52.678
flat angles C4'-P-C4' energy: -51.091
flat angles P-C4'-P energy: -35.565
tors. eta vs tors. theta energy: -73.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -792.174715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.174715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.174715 (E_RNA)
where:
Base-Base interactions energy: -548.548
where: short stacking energy: -219.882
Base-Backbone interact. energy: -0.132
local terms energy: -243.494243
where:
bonds (distance) C4'-P energy: -48.161
bonds (distance) P-C4' energy: -49.126
flat angles C4'-P-C4' energy: -47.348
flat angles P-C4'-P energy: -31.347
tors. eta vs tors. theta energy: -67.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -767.662406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.662406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.662406 (E_RNA)
where:
Base-Base interactions energy: -549.616
where: short stacking energy: -246.033
Base-Backbone interact. energy: -0.023
local terms energy: -218.024041
where:
bonds (distance) C4'-P energy: -37.108
bonds (distance) P-C4' energy: -43.756
flat angles C4'-P-C4' energy: -44.018
flat angles P-C4'-P energy: -26.504
tors. eta vs tors. theta energy: -66.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -681.836739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.836739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.836739 (E_RNA)
where:
Base-Base interactions energy: -472.778
where: short stacking energy: -209.556
Base-Backbone interact. energy: -1.101
local terms energy: -207.957749
where:
bonds (distance) C4'-P energy: -38.724
bonds (distance) P-C4' energy: -42.619
flat angles C4'-P-C4' energy: -49.762
flat angles P-C4'-P energy: -23.241
tors. eta vs tors. theta energy: -53.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -685.940780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.940780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.940780 (E_RNA)
where:
Base-Base interactions energy: -463.792
where: short stacking energy: -188.047
Base-Backbone interact. energy: 0.848
local terms energy: -222.996579
where:
bonds (distance) C4'-P energy: -47.135
bonds (distance) P-C4' energy: -47.414
flat angles C4'-P-C4' energy: -53.000
flat angles P-C4'-P energy: -26.789
tors. eta vs tors. theta energy: -48.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -397.836219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.836219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.836219 (E_RNA)
where:
Base-Base interactions energy: -224.526
where: short stacking energy: -107.420
Base-Backbone interact. energy: -1.101
local terms energy: -172.209730
where:
bonds (distance) C4'-P energy: -45.557
bonds (distance) P-C4' energy: -40.589
flat angles C4'-P-C4' energy: -45.527
flat angles P-C4'-P energy: -23.360
tors. eta vs tors. theta energy: -17.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -244.487944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.487944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.487944 (E_RNA)
where:
Base-Base interactions energy: -88.258
where: short stacking energy: -60.846
Base-Backbone interact. energy: 0.692
local terms energy: -156.922349
where:
bonds (distance) C4'-P energy: -51.568
bonds (distance) P-C4' energy: -36.838
flat angles C4'-P-C4' energy: -30.062
flat angles P-C4'-P energy: -36.507
tors. eta vs tors. theta energy: -1.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -948.259800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.259800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.259800 (E_RNA)
where:
Base-Base interactions energy: -658.720
where: short stacking energy: -280.168
Base-Backbone interact. energy: -0.583
local terms energy: -288.957223
where:
bonds (distance) C4'-P energy: -57.560
bonds (distance) P-C4' energy: -44.954
flat angles C4'-P-C4' energy: -55.452
flat angles P-C4'-P energy: -45.220
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: 2, replica: 1
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -947.346490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.346490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.346490 (E_RNA)
where:
Base-Base interactions energy: -661.226
where: short stacking energy: -291.538
Base-Backbone interact. energy: -0.518
local terms energy: -285.602502
where:
bonds (distance) C4'-P energy: -50.676
bonds (distance) P-C4' energy: -46.907
flat angles C4'-P-C4' energy: -59.790
flat angles P-C4'-P energy: -45.678
tors. eta vs tors. theta energy: -82.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -897.109171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.109171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.109171 (E_RNA)
where:
Base-Base interactions energy: -610.821
where: short stacking energy: -256.456
Base-Backbone interact. energy: -0.969
local terms energy: -285.319220
where:
bonds (distance) C4'-P energy: -49.312
bonds (distance) P-C4' energy: -62.907
flat angles C4'-P-C4' energy: -54.361
flat angles P-C4'-P energy: -32.613
tors. eta vs tors. theta energy: -86.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -893.501642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.501642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.501642 (E_RNA)
where:
Base-Base interactions energy: -615.021
where: short stacking energy: -264.552
Base-Backbone interact. energy: -0.067
local terms energy: -278.413220
where:
bonds (distance) C4'-P energy: -51.776
bonds (distance) P-C4' energy: -53.250
flat angles C4'-P-C4' energy: -56.774
flat angles P-C4'-P energy: -40.051
tors. eta vs tors. theta energy: -76.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -769.387252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.387252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.387252 (E_RNA)
where:
Base-Base interactions energy: -529.641
where: short stacking energy: -230.433
Base-Backbone interact. energy: -0.676
local terms energy: -239.070517
where:
bonds (distance) C4'-P energy: -48.513
bonds (distance) P-C4' energy: -49.694
flat angles C4'-P-C4' energy: -52.683
flat angles P-C4'-P energy: -32.499
tors. eta vs tors. theta energy: -55.682
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: 3
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -805.920785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.920785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.920785 (E_RNA)
where:
Base-Base interactions energy: -548.271
where: short stacking energy: -232.815
Base-Backbone interact. energy: 4.907
local terms energy: -262.556901
where:
bonds (distance) C4'-P energy: -46.917
bonds (distance) P-C4' energy: -49.801
flat angles C4'-P-C4' energy: -48.119
flat angles P-C4'-P energy: -46.396
tors. eta vs tors. theta energy: -71.324
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: 10
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -702.141597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.141597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.141597 (E_RNA)
where:
Base-Base interactions energy: -482.255
where: short stacking energy: -195.761
Base-Backbone interact. energy: -0.170
local terms energy: -219.716392
where:
bonds (distance) C4'-P energy: -38.995
bonds (distance) P-C4' energy: -33.542
flat angles C4'-P-C4' energy: -59.439
flat angles P-C4'-P energy: -30.320
tors. eta vs tors. theta energy: -57.421
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: 8, replica: 4
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -699.100126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.100126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.100126 (E_RNA)
where:
Base-Base interactions energy: -492.428
where: short stacking energy: -208.667
Base-Backbone interact. energy: -0.260
local terms energy: -206.412809
where:
bonds (distance) C4'-P energy: -36.884
bonds (distance) P-C4' energy: -41.567
flat angles C4'-P-C4' energy: -49.539
flat angles P-C4'-P energy: -31.833
tors. eta vs tors. theta energy: -46.589
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: 188
Temperature: 1.300000
Total energy: -395.864260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.864260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.864260 (E_RNA)
where:
Base-Base interactions energy: -231.299
where: short stacking energy: -122.019
Base-Backbone interact. energy: 4.912
local terms energy: -169.477561
where:
bonds (distance) C4'-P energy: -46.083
bonds (distance) P-C4' energy: -34.699
flat angles C4'-P-C4' energy: -47.487
flat angles P-C4'-P energy: -28.905
tors. eta vs tors. theta energy: -12.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -214.389816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.389816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.389816 (E_RNA)
where:
Base-Base interactions energy: -74.207
where: short stacking energy: -71.745
Base-Backbone interact. energy: 3.776
local terms energy: -143.958498
where:
bonds (distance) C4'-P energy: -46.532
bonds (distance) P-C4' energy: -40.454
flat angles C4'-P-C4' energy: -41.915
flat angles P-C4'-P energy: -20.459
tors. eta vs tors. theta energy: 5.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -950.853640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.853640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.853640 (E_RNA)
where:
Base-Base interactions energy: -662.998
where: short stacking energy: -277.429
Base-Backbone interact. energy: -0.086
local terms energy: -287.769686
where:
bonds (distance) C4'-P energy: -48.603
bonds (distance) P-C4' energy: -57.530
flat angles C4'-P-C4' energy: -57.786
flat angles P-C4'-P energy: -47.171
tors. eta vs tors. theta energy: -76.679
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: 189
Temperature: 0.950000
Total energy: -933.979513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.979513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.979513 (E_RNA)
where:
Base-Base interactions energy: -653.482
where: short stacking energy: -278.901
Base-Backbone interact. energy: 0.343
local terms energy: -280.841159
where:
bonds (distance) C4'-P energy: -50.948
bonds (distance) P-C4' energy: -49.116
flat angles C4'-P-C4' energy: -62.215
flat angles P-C4'-P energy: -39.902
tors. eta vs tors. theta energy: -78.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -892.529895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.529895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.529895 (E_RNA)
where:
Base-Base interactions energy: -615.826
where: short stacking energy: -253.629
Base-Backbone interact. energy: 0.002
local terms energy: -276.706003
where:
bonds (distance) C4'-P energy: -55.126
bonds (distance) P-C4' energy: -44.599
flat angles C4'-P-C4' energy: -58.177
flat angles P-C4'-P energy: -44.677
tors. eta vs tors. theta energy: -74.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -861.587658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.587658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.587658 (E_RNA)
where:
Base-Base interactions energy: -592.441
where: short stacking energy: -250.074
Base-Backbone interact. energy: -0.627
local terms energy: -268.520161
where:
bonds (distance) C4'-P energy: -56.757
bonds (distance) P-C4' energy: -44.135
flat angles C4'-P-C4' energy: -60.501
flat angles P-C4'-P energy: -37.172
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: 5, replica: 7
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -770.403304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.403304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.403304 (E_RNA)
where:
Base-Base interactions energy: -537.506
where: short stacking energy: -227.604
Base-Backbone interact. energy: 1.309
local terms energy: -234.206412
where:
bonds (distance) C4'-P energy: -47.302
bonds (distance) P-C4' energy: -46.506
flat angles C4'-P-C4' energy: -51.825
flat angles P-C4'-P energy: -36.389
tors. eta vs tors. theta energy: -52.184
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: 3
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -773.711723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.711723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.711723 (E_RNA)
where:
Base-Base interactions energy: -534.891
where: short stacking energy: -222.502
Base-Backbone interact. energy: 0.791
local terms energy: -239.612328
where:
bonds (distance) C4'-P energy: -49.537
bonds (distance) P-C4' energy: -36.104
flat angles C4'-P-C4' energy: -51.921
flat angles P-C4'-P energy: -35.931
tors. eta vs tors. theta energy: -66.119
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: 10
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -718.481385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.481385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.481385 (E_RNA)
where:
Base-Base interactions energy: -471.013
where: short stacking energy: -201.010
Base-Backbone interact. energy: -0.325
local terms energy: -247.143637
where:
bonds (distance) C4'-P energy: -44.194
bonds (distance) P-C4' energy: -54.166
flat angles C4'-P-C4' energy: -49.607
flat angles P-C4'-P energy: -33.116
tors. eta vs tors. theta energy: -66.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -692.151879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.151879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.151879 (E_RNA)
where:
Base-Base interactions energy: -480.422
where: short stacking energy: -192.239
Base-Backbone interact. energy: -1.440
local terms energy: -210.289849
where:
bonds (distance) C4'-P energy: -37.703
bonds (distance) P-C4' energy: -40.707
flat angles C4'-P-C4' energy: -49.819
flat angles P-C4'-P energy: -34.701
tors. eta vs tors. theta energy: -47.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -397.782890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.782890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.782890 (E_RNA)
where:
Base-Base interactions energy: -211.294
where: short stacking energy: -110.342
Base-Backbone interact. energy: -0.343
local terms energy: -186.145623
where:
bonds (distance) C4'-P energy: -45.531
bonds (distance) P-C4' energy: -50.568
flat angles C4'-P-C4' energy: -44.362
flat angles P-C4'-P energy: -28.660
tors. eta vs tors. theta energy: -17.025
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: 6
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -214.452193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.452193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.452193 (E_RNA)
where:
Base-Base interactions energy: -68.945
where: short stacking energy: -56.873
Base-Backbone interact. energy: -2.021
local terms energy: -143.485974
where:
bonds (distance) C4'-P energy: -41.596
bonds (distance) P-C4' energy: -49.920
flat angles C4'-P-C4' energy: -36.160
flat angles P-C4'-P energy: -28.500
tors. eta vs tors. theta energy: 12.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -946.660432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.660432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.660432 (E_RNA)
where:
Base-Base interactions energy: -667.121
where: short stacking energy: -278.827
Base-Backbone interact. energy: -0.824
local terms energy: -278.715793
where:
bonds (distance) C4'-P energy: -56.144
bonds (distance) P-C4' energy: -42.807
flat angles C4'-P-C4' energy: -57.047
flat angles P-C4'-P energy: -40.517
tors. eta vs tors. theta energy: -82.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -933.412343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.412343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.412343 (E_RNA)
where:
Base-Base interactions energy: -645.432
where: short stacking energy: -273.195
Base-Backbone interact. energy: -0.001
local terms energy: -287.979658
where:
bonds (distance) C4'-P energy: -55.008
bonds (distance) P-C4' energy: -54.860
flat angles C4'-P-C4' energy: -54.008
flat angles P-C4'-P energy: -45.133
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: 3, replica: 8
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -883.905586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.905586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.905586 (E_RNA)
where:
Base-Base interactions energy: -618.428
where: short stacking energy: -252.003
Base-Backbone interact. energy: -0.770
local terms energy: -264.707131
where:
bonds (distance) C4'-P energy: -40.604
bonds (distance) P-C4' energy: -56.838
flat angles C4'-P-C4' energy: -54.376
flat angles P-C4'-P energy: -37.285
tors. eta vs tors. theta energy: -75.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -857.653633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.653633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.653633 (E_RNA)
where:
Base-Base interactions energy: -590.014
where: short stacking energy: -244.864
Base-Backbone interact. energy: -1.224
local terms energy: -266.415432
where:
bonds (distance) C4'-P energy: -44.050
bonds (distance) P-C4' energy: -52.420
flat angles C4'-P-C4' energy: -63.394
flat angles P-C4'-P energy: -39.623
tors. eta vs tors. theta energy: -66.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -804.789011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.789011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.789011 (E_RNA)
where:
Base-Base interactions energy: -558.145
where: short stacking energy: -231.922
Base-Backbone interact. energy: -0.537
local terms energy: -246.107275
where:
bonds (distance) C4'-P energy: -37.216
bonds (distance) P-C4' energy: -53.660
flat angles C4'-P-C4' energy: -57.429
flat angles P-C4'-P energy: -33.646
tors. eta vs tors. theta energy: -64.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -776.123738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.123738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.123738 (E_RNA)
where:
Base-Base interactions energy: -542.456
where: short stacking energy: -219.466
Base-Backbone interact. energy: -0.883
local terms energy: -232.784447
where:
bonds (distance) C4'-P energy: -47.066
bonds (distance) P-C4' energy: -51.994
flat angles C4'-P-C4' energy: -46.317
flat angles P-C4'-P energy: -24.042
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: 7, replica: 10
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -733.534777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.534777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.534777 (E_RNA)
where:
Base-Base interactions energy: -498.871
where: short stacking energy: -221.115
Base-Backbone interact. energy: -0.166
local terms energy: -234.498211
where:
bonds (distance) C4'-P energy: -40.225
bonds (distance) P-C4' energy: -42.179
flat angles C4'-P-C4' energy: -54.389
flat angles P-C4'-P energy: -39.133
tors. eta vs tors. theta energy: -58.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -703.320871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.320871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.320871 (E_RNA)
where:
Base-Base interactions energy: -489.917
where: short stacking energy: -203.842
Base-Backbone interact. energy: -1.789
local terms energy: -211.614618
where:
bonds (distance) C4'-P energy: -45.431
bonds (distance) P-C4' energy: -37.001
flat angles C4'-P-C4' energy: -45.477
flat angles P-C4'-P energy: -27.635
tors. eta vs tors. theta energy: -56.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -429.145386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.145386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.145386 (E_RNA)
where:
Base-Base interactions energy: -257.898
where: short stacking energy: -135.858
Base-Backbone interact. energy: 1.159
local terms energy: -172.406269
where:
bonds (distance) C4'-P energy: -39.384
bonds (distance) P-C4' energy: -43.425
flat angles C4'-P-C4' energy: -46.309
flat angles P-C4'-P energy: -14.237
tors. eta vs tors. theta energy: -29.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -233.104588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.104588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.104588 (E_RNA)
where:
Base-Base interactions energy: -97.743
where: short stacking energy: -73.798
Base-Backbone interact. energy: 2.491
local terms energy: -137.853306
where:
bonds (distance) C4'-P energy: -32.514
bonds (distance) P-C4' energy: -44.987
flat angles C4'-P-C4' energy: -42.799
flat angles P-C4'-P energy: -17.267
tors. eta vs tors. theta energy: -0.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -954.628694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.628694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.628694 (E_RNA)
where:
Base-Base interactions energy: -659.080
where: short stacking energy: -291.334
Base-Backbone interact. energy: 1.062
local terms energy: -296.610699
where:
bonds (distance) C4'-P energy: -53.035
bonds (distance) P-C4' energy: -53.726
flat angles C4'-P-C4' energy: -62.168
flat angles P-C4'-P energy: -38.976
tors. eta vs tors. theta energy: -88.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -920.227397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.227397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.227397 (E_RNA)
where:
Base-Base interactions energy: -634.173
where: short stacking energy: -271.808
Base-Backbone interact. energy: 0.470
local terms energy: -286.524121
where:
bonds (distance) C4'-P energy: -55.614
bonds (distance) P-C4' energy: -49.961
flat angles C4'-P-C4' energy: -60.337
flat angles P-C4'-P energy: -41.518
tors. eta vs tors. theta energy: -79.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -899.986182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.986182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.986182 (E_RNA)
where:
Base-Base interactions energy: -612.616
where: short stacking energy: -259.009
Base-Backbone interact. energy: -0.358
local terms energy: -287.012824
where:
bonds (distance) C4'-P energy: -60.017
bonds (distance) P-C4' energy: -57.022
flat angles C4'-P-C4' energy: -53.092
flat angles P-C4'-P energy: -39.759
tors. eta vs tors. theta energy: -77.123
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: 5
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -864.081811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.081811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.081811 (E_RNA)
where:
Base-Base interactions energy: -604.673
where: short stacking energy: -251.102
Base-Backbone interact. energy: 1.985
local terms energy: -261.394383
where:
bonds (distance) C4'-P energy: -42.898
bonds (distance) P-C4' energy: -47.380
flat angles C4'-P-C4' energy: -57.468
flat angles P-C4'-P energy: -41.438
tors. eta vs tors. theta energy: -72.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -819.807939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.807939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.807939 (E_RNA)
where:
Base-Base interactions energy: -572.045
where: short stacking energy: -219.914
Base-Backbone interact. energy: -1.190
local terms energy: -246.573576
where:
bonds (distance) C4'-P energy: -47.728
bonds (distance) P-C4' energy: -50.876
flat angles C4'-P-C4' energy: -51.936
flat angles P-C4'-P energy: -35.355
tors. eta vs tors. theta energy: -60.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -768.449681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.449681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.449681 (E_RNA)
where:
Base-Base interactions energy: -544.269
where: short stacking energy: -220.420
Base-Backbone interact. energy: -0.444
local terms energy: -223.737012
where:
bonds (distance) C4'-P energy: -41.318
bonds (distance) P-C4' energy: -45.305
flat angles C4'-P-C4' energy: -42.475
flat angles P-C4'-P energy: -34.780
tors. eta vs tors. theta energy: -59.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -721.132301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.132301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.132301 (E_RNA)
where:
Base-Base interactions energy: -495.123
where: short stacking energy: -197.655
Base-Backbone interact. energy: -0.934
local terms energy: -225.075126
where:
bonds (distance) C4'-P energy: -36.063
bonds (distance) P-C4' energy: -52.861
flat angles C4'-P-C4' energy: -51.767
flat angles P-C4'-P energy: -34.870
tors. eta vs tors. theta energy: -49.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -700.127334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.127334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.127334 (E_RNA)
where:
Base-Base interactions energy: -477.755
where: short stacking energy: -201.838
Base-Backbone interact. energy: -0.575
local terms energy: -221.796966
where:
bonds (distance) C4'-P energy: -42.800
bonds (distance) P-C4' energy: -50.944
flat angles C4'-P-C4' energy: -47.406
flat angles P-C4'-P energy: -20.941
tors. eta vs tors. theta energy: -59.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -389.815370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.815370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.815370 (E_RNA)
where:
Base-Base interactions energy: -217.614
where: short stacking energy: -98.096
Base-Backbone interact. energy: -1.590
local terms energy: -170.612085
where:
bonds (distance) C4'-P energy: -44.255
bonds (distance) P-C4' energy: -35.113
flat angles C4'-P-C4' energy: -42.896
flat angles P-C4'-P energy: -31.775
tors. eta vs tors. theta energy: -16.573
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: 6
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -212.523135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.523135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.523135 (E_RNA)
where:
Base-Base interactions energy: -92.120
where: short stacking energy: -62.774
Base-Backbone interact. energy: -0.226
local terms energy: -120.177013
where:
bonds (distance) C4'-P energy: -32.586
bonds (distance) P-C4' energy: -50.286
flat angles C4'-P-C4' energy: -29.280
flat angles P-C4'-P energy: -24.246
tors. eta vs tors. theta energy: 16.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -948.774665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.774665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.774665 (E_RNA)
where:
Base-Base interactions energy: -658.334
where: short stacking energy: -287.192
Base-Backbone interact. energy: -0.854
local terms energy: -289.586714
where:
bonds (distance) C4'-P energy: -49.639
bonds (distance) P-C4' energy: -53.751
flat angles C4'-P-C4' energy: -57.027
flat angles P-C4'-P energy: -42.047
tors. eta vs tors. theta energy: -87.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -951.211346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.211346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.211346 (E_RNA)
where:
Base-Base interactions energy: -651.214
where: short stacking energy: -278.082
Base-Backbone interact. energy: -0.310
local terms energy: -299.687328
where:
bonds (distance) C4'-P energy: -47.256
bonds (distance) P-C4' energy: -60.359
flat angles C4'-P-C4' energy: -58.454
flat angles P-C4'-P energy: -46.605
tors. eta vs tors. theta energy: -87.013
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: 8
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -903.190646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.190646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.190646 (E_RNA)
where:
Base-Base interactions energy: -629.401
where: short stacking energy: -265.783
Base-Backbone interact. energy: 2.265
local terms energy: -276.053736
where:
bonds (distance) C4'-P energy: -54.829
bonds (distance) P-C4' energy: -49.982
flat angles C4'-P-C4' energy: -49.692
flat angles P-C4'-P energy: -39.797
tors. eta vs tors. theta energy: -81.754
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: 5
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -849.543306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.543306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.543306 (E_RNA)
where:
Base-Base interactions energy: -576.474
where: short stacking energy: -233.094
Base-Backbone interact. energy: 1.334
local terms energy: -274.402741
where:
bonds (distance) C4'-P energy: -49.627
bonds (distance) P-C4' energy: -58.152
flat angles C4'-P-C4' energy: -60.898
flat angles P-C4'-P energy: -36.488
tors. eta vs tors. theta energy: -69.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -801.226321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.226321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.226321 (E_RNA)
where:
Base-Base interactions energy: -550.685
where: short stacking energy: -228.608
Base-Backbone interact. energy: -0.949
local terms energy: -249.592154
where:
bonds (distance) C4'-P energy: -44.179
bonds (distance) P-C4' energy: -47.440
flat angles C4'-P-C4' energy: -47.136
flat angles P-C4'-P energy: -40.881
tors. eta vs tors. theta energy: -69.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -761.639844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.639844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.639844 (E_RNA)
where:
Base-Base interactions energy: -531.637
where: short stacking energy: -205.625
Base-Backbone interact. energy: -2.035
local terms energy: -227.968127
where:
bonds (distance) C4'-P energy: -51.990
bonds (distance) P-C4' energy: -40.227
flat angles C4'-P-C4' energy: -45.476
flat angles P-C4'-P energy: -33.394
tors. eta vs tors. theta energy: -56.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -749.075421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.075421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.075421 (E_RNA)
where:
Base-Base interactions energy: -522.112
where: short stacking energy: -219.624
Base-Backbone interact. energy: -1.534
local terms energy: -225.429310
where:
bonds (distance) C4'-P energy: -48.932
bonds (distance) P-C4' energy: -45.549
flat angles C4'-P-C4' energy: -46.531
flat angles P-C4'-P energy: -29.062
tors. eta vs tors. theta energy: -55.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -729.117919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.117919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.117919 (E_RNA)
where:
Base-Base interactions energy: -491.735
where: short stacking energy: -196.271
Base-Backbone interact. energy: -1.503
local terms energy: -235.880141
where:
bonds (distance) C4'-P energy: -42.453
bonds (distance) P-C4' energy: -51.211
flat angles C4'-P-C4' energy: -48.935
flat angles P-C4'-P energy: -32.128
tors. eta vs tors. theta energy: -61.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -397.210586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.210586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.210586 (E_RNA)
where:
Base-Base interactions energy: -230.245
where: short stacking energy: -115.823
Base-Backbone interact. energy: -0.770
local terms energy: -166.195880
where:
bonds (distance) C4'-P energy: -44.301
bonds (distance) P-C4' energy: -50.224
flat angles C4'-P-C4' energy: -41.925
flat angles P-C4'-P energy: -24.979
tors. eta vs tors. theta energy: -4.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -239.178871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.178871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.178871 (E_RNA)
where:
Base-Base interactions energy: -100.442
where: short stacking energy: -59.894
Base-Backbone interact. energy: -0.914
local terms energy: -137.823055
where:
bonds (distance) C4'-P energy: -45.939
bonds (distance) P-C4' energy: -45.250
flat angles C4'-P-C4' energy: -32.157
flat angles P-C4'-P energy: -23.165
tors. eta vs tors. theta energy: 8.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -959.219336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.219336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.219336 (E_RNA)
where:
Base-Base interactions energy: -669.040
where: short stacking energy: -291.087
Base-Backbone interact. energy: 1.356
local terms energy: -291.535479
where:
bonds (distance) C4'-P energy: -52.961
bonds (distance) P-C4' energy: -59.256
flat angles C4'-P-C4' energy: -59.892
flat angles P-C4'-P energy: -33.475
tors. eta vs tors. theta energy: -85.952
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: 8
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -914.432379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.432379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.432379 (E_RNA)
where:
Base-Base interactions energy: -640.499
where: short stacking energy: -259.675
Base-Backbone interact. energy: -1.732
local terms energy: -272.201820
where:
bonds (distance) C4'-P energy: -45.609
bonds (distance) P-C4' energy: -53.256
flat angles C4'-P-C4' energy: -54.929
flat angles P-C4'-P energy: -38.329
tors. eta vs tors. theta energy: -80.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -920.048769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.048769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.048769 (E_RNA)
where:
Base-Base interactions energy: -653.101
where: short stacking energy: -270.481
Base-Backbone interact. energy: 0.089
local terms energy: -267.037198
where:
bonds (distance) C4'-P energy: -47.126
bonds (distance) P-C4' energy: -48.647
flat angles C4'-P-C4' energy: -56.592
flat angles P-C4'-P energy: -39.510
tors. eta vs tors. theta energy: -75.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -870.638203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.638203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.638203 (E_RNA)
where:
Base-Base interactions energy: -596.729
where: short stacking energy: -255.960
Base-Backbone interact. energy: 1.808
local terms energy: -275.717198
where:
bonds (distance) C4'-P energy: -51.290
bonds (distance) P-C4' energy: -51.973
flat angles C4'-P-C4' energy: -57.814
flat angles P-C4'-P energy: -36.812
tors. eta vs tors. theta energy: -77.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -805.682994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.682994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.682994 (E_RNA)
where:
Base-Base interactions energy: -544.508
where: short stacking energy: -239.036
Base-Backbone interact. energy: -0.935
local terms energy: -260.240433
where:
bonds (distance) C4'-P energy: -46.655
bonds (distance) P-C4' energy: -51.620
flat angles C4'-P-C4' energy: -55.577
flat angles P-C4'-P energy: -36.753
tors. eta vs tors. theta energy: -69.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -748.347825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.347825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.347825 (E_RNA)
where:
Base-Base interactions energy: -506.994
where: short stacking energy: -203.582
Base-Backbone interact. energy: -0.344
local terms energy: -241.010097
where:
bonds (distance) C4'-P energy: -48.694
bonds (distance) P-C4' energy: -52.009
flat angles C4'-P-C4' energy: -52.110
flat angles P-C4'-P energy: -36.856
tors. eta vs tors. theta energy: -51.342
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: 7, replica: 7
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -712.061985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.061985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.061985 (E_RNA)
where:
Base-Base interactions energy: -505.433
where: short stacking energy: -199.604
Base-Backbone interact. energy: -0.675
local terms energy: -205.954849
where:
bonds (distance) C4'-P energy: -39.445
bonds (distance) P-C4' energy: -45.293
flat angles C4'-P-C4' energy: -36.947
flat angles P-C4'-P energy: -29.900
tors. eta vs tors. theta energy: -54.371
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: 193
Temperature: 1.250000
Total energy: -698.148346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.148346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.148346 (E_RNA)
where:
Base-Base interactions energy: -465.806
where: short stacking energy: -178.106
Base-Backbone interact. energy: -0.180
local terms energy: -232.162466
where:
bonds (distance) C4'-P energy: -44.382
bonds (distance) P-C4' energy: -52.259
flat angles C4'-P-C4' energy: -49.754
flat angles P-C4'-P energy: -40.377
tors. eta vs tors. theta energy: -45.391
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: 9
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -368.512088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.512088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.512088 (E_RNA)
where:
Base-Base interactions energy: -212.159
where: short stacking energy: -110.640
Base-Backbone interact. energy: 1.648
local terms energy: -158.001358
where:
bonds (distance) C4'-P energy: -33.344
bonds (distance) P-C4' energy: -45.697
flat angles C4'-P-C4' energy: -44.871
flat angles P-C4'-P energy: -21.101
tors. eta vs tors. theta energy: -12.989
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: 6
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -235.208461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.208461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.208461 (E_RNA)
where:
Base-Base interactions energy: -77.755
where: short stacking energy: -65.270
Base-Backbone interact. energy: -0.596
local terms energy: -156.858280
where:
bonds (distance) C4'-P energy: -43.061
bonds (distance) P-C4' energy: -47.223
flat angles C4'-P-C4' energy: -43.361
flat angles P-C4'-P energy: -18.923
tors. eta vs tors. theta energy: -4.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -948.801186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.801186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.801186 (E_RNA)
where:
Base-Base interactions energy: -664.981
where: short stacking energy: -286.356
Base-Backbone interact. energy: -1.676
local terms energy: -282.144780
where:
bonds (distance) C4'-P energy: -44.449
bonds (distance) P-C4' energy: -52.890
flat angles C4'-P-C4' energy: -54.010
flat angles P-C4'-P energy: -45.523
tors. eta vs tors. theta energy: -85.273
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: 8
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -915.042368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.042368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.042368 (E_RNA)
where:
Base-Base interactions energy: -644.947
where: short stacking energy: -276.311
Base-Backbone interact. energy: -2.437
local terms energy: -267.658133
where:
bonds (distance) C4'-P energy: -42.774
bonds (distance) P-C4' energy: -51.466
flat angles C4'-P-C4' energy: -55.133
flat angles P-C4'-P energy: -39.900
tors. eta vs tors. theta energy: -78.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -914.824494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.824494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.824494 (E_RNA)
where:
Base-Base interactions energy: -622.234
where: short stacking energy: -269.795
Base-Backbone interact. energy: -0.671
local terms energy: -291.919406
where:
bonds (distance) C4'-P energy: -46.587
bonds (distance) P-C4' energy: -59.743
flat angles C4'-P-C4' energy: -62.696
flat angles P-C4'-P energy: -41.648
tors. eta vs tors. theta energy: -81.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -846.129706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.129706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.129706 (E_RNA)
where:
Base-Base interactions energy: -588.685
where: short stacking energy: -255.151
Base-Backbone interact. energy: 3.498
local terms energy: -260.942998
where:
bonds (distance) C4'-P energy: -46.478
bonds (distance) P-C4' energy: -52.561
flat angles C4'-P-C4' energy: -57.334
flat angles P-C4'-P energy: -31.404
tors. eta vs tors. theta energy: -73.167
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: 10
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -818.183207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.183207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.183207 (E_RNA)
where:
Base-Base interactions energy: -559.541
where: short stacking energy: -252.377
Base-Backbone interact. energy: -1.336
local terms energy: -257.307052
where:
bonds (distance) C4'-P energy: -39.022
bonds (distance) P-C4' energy: -45.675
flat angles C4'-P-C4' energy: -64.213
flat angles P-C4'-P energy: -41.549
tors. eta vs tors. theta energy: -66.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -777.049374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.049374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.049374 (E_RNA)
where:
Base-Base interactions energy: -535.038
where: short stacking energy: -217.827
Base-Backbone interact. energy: -0.962
local terms energy: -241.049409
where:
bonds (distance) C4'-P energy: -46.847
bonds (distance) P-C4' energy: -48.934
flat angles C4'-P-C4' energy: -48.976
flat angles P-C4'-P energy: -31.376
tors. eta vs tors. theta energy: -64.916
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: 4
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -731.344268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.344268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.344268 (E_RNA)
where:
Base-Base interactions energy: -515.289
where: short stacking energy: -216.311
Base-Backbone interact. energy: -0.310
local terms energy: -215.745640
where:
bonds (distance) C4'-P energy: -40.265
bonds (distance) P-C4' energy: -38.307
flat angles C4'-P-C4' energy: -53.655
flat angles P-C4'-P energy: -24.071
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: 8, replica: 7
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -689.647928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.647928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.647928 (E_RNA)
where:
Base-Base interactions energy: -493.468
where: short stacking energy: -191.972
Base-Backbone interact. energy: -1.043
local terms energy: -195.137522
where:
bonds (distance) C4'-P energy: -34.429
bonds (distance) P-C4' energy: -42.399
flat angles C4'-P-C4' energy: -41.582
flat angles P-C4'-P energy: -31.627
tors. eta vs tors. theta energy: -45.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -376.016745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.016745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.016745 (E_RNA)
where:
Base-Base interactions energy: -209.087
where: short stacking energy: -113.424
Base-Backbone interact. energy: -0.893
local terms energy: -166.036626
where:
bonds (distance) C4'-P energy: -45.472
bonds (distance) P-C4' energy: -49.538
flat angles C4'-P-C4' energy: -31.867
flat angles P-C4'-P energy: -23.725
tors. eta vs tors. theta energy: -15.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -228.252499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.252499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.252499 (E_RNA)
where:
Base-Base interactions energy: -85.096
where: short stacking energy: -76.548
Base-Backbone interact. energy: -1.268
local terms energy: -141.888425
where:
bonds (distance) C4'-P energy: -38.105
bonds (distance) P-C4' energy: -47.115
flat angles C4'-P-C4' energy: -34.499
flat angles P-C4'-P energy: -20.407
tors. eta vs tors. theta energy: -1.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -964.273236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.273236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.273236 (E_RNA)
where:
Base-Base interactions energy: -665.026
where: short stacking energy: -285.634
Base-Backbone interact. energy: -0.794
local terms energy: -298.453727
where:
bonds (distance) C4'-P energy: -51.626
bonds (distance) P-C4' energy: -56.314
flat angles C4'-P-C4' energy: -62.896
flat angles P-C4'-P energy: -45.382
tors. eta vs tors. theta energy: -82.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -941.887459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.887459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.887459 (E_RNA)
where:
Base-Base interactions energy: -648.762
where: short stacking energy: -265.117
Base-Backbone interact. energy: -1.622
local terms energy: -291.503795
where:
bonds (distance) C4'-P energy: -59.855
bonds (distance) P-C4' energy: -49.184
flat angles C4'-P-C4' energy: -55.169
flat angles P-C4'-P energy: -44.658
tors. eta vs tors. theta energy: -82.638
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: 8
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -873.510148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.510148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.510148 (E_RNA)
where:
Base-Base interactions energy: -603.288
where: short stacking energy: -267.526
Base-Backbone interact. energy: -0.378
local terms energy: -269.844349
where:
bonds (distance) C4'-P energy: -46.313
bonds (distance) P-C4' energy: -47.604
flat angles C4'-P-C4' energy: -58.168
flat angles P-C4'-P energy: -37.594
tors. eta vs tors. theta energy: -80.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -841.319278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.319278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.319278 (E_RNA)
where:
Base-Base interactions energy: -574.679
where: short stacking energy: -244.342
Base-Backbone interact. energy: -1.490
local terms energy: -265.149693
where:
bonds (distance) C4'-P energy: -51.289
bonds (distance) P-C4' energy: -50.723
flat angles C4'-P-C4' energy: -56.346
flat angles P-C4'-P energy: -35.117
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: 5, replica: 10
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -798.133415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.133415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.133415 (E_RNA)
where:
Base-Base interactions energy: -558.544
where: short stacking energy: -237.602
Base-Backbone interact. energy: 0.396
local terms energy: -239.985299
where:
bonds (distance) C4'-P energy: -44.998
bonds (distance) P-C4' energy: -41.090
flat angles C4'-P-C4' energy: -52.170
flat angles P-C4'-P energy: -33.529
tors. eta vs tors. theta energy: -68.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -775.104361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.104361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.104361 (E_RNA)
where:
Base-Base interactions energy: -543.652
where: short stacking energy: -226.278
Base-Backbone interact. energy: -1.270
local terms energy: -230.182704
where:
bonds (distance) C4'-P energy: -35.491
bonds (distance) P-C4' energy: -46.016
flat angles C4'-P-C4' energy: -54.048
flat angles P-C4'-P energy: -23.773
tors. eta vs tors. theta energy: -70.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -723.392191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.392191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.392191 (E_RNA)
where:
Base-Base interactions energy: -501.624
where: short stacking energy: -204.548
Base-Backbone interact. energy: 0.646
local terms energy: -222.414576
where:
bonds (distance) C4'-P energy: -46.185
bonds (distance) P-C4' energy: -47.474
flat angles C4'-P-C4' energy: -40.616
flat angles P-C4'-P energy: -31.467
tors. eta vs tors. theta energy: -56.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -694.277225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.277225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.277225 (E_RNA)
where:
Base-Base interactions energy: -466.993
where: short stacking energy: -205.437
Base-Backbone interact. energy: -0.828
local terms energy: -226.456091
where:
bonds (distance) C4'-P energy: -38.052
bonds (distance) P-C4' energy: -43.776
flat angles C4'-P-C4' energy: -48.115
flat angles P-C4'-P energy: -33.232
tors. eta vs tors. theta energy: -63.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -381.881395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.881395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.881395 (E_RNA)
where:
Base-Base interactions energy: -222.498
where: short stacking energy: -108.812
Base-Backbone interact. energy: -0.581
local terms energy: -158.802543
where:
bonds (distance) C4'-P energy: -36.557
bonds (distance) P-C4' energy: -45.206
flat angles C4'-P-C4' energy: -39.310
flat angles P-C4'-P energy: -22.227
tors. eta vs tors. theta energy: -15.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -239.886193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.886193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.886193 (E_RNA)
where:
Base-Base interactions energy: -76.492
where: short stacking energy: -67.426
Base-Backbone interact. energy: -0.252
local terms energy: -163.142583
where:
bonds (distance) C4'-P energy: -53.153
bonds (distance) P-C4' energy: -46.439
flat angles C4'-P-C4' energy: -45.428
flat angles P-C4'-P energy: -20.547
tors. eta vs tors. theta energy: 2.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -967.774160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.774160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.774160 (E_RNA)
where:
Base-Base interactions energy: -673.770
where: short stacking energy: -301.847
Base-Backbone interact. energy: 0.981
local terms energy: -294.985050
where:
bonds (distance) C4'-P energy: -43.913
bonds (distance) P-C4' energy: -57.881
flat angles C4'-P-C4' energy: -60.586
flat angles P-C4'-P energy: -44.605
tors. eta vs tors. theta energy: -88.000
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: 2
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -932.344448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.344448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.344448 (E_RNA)
where:
Base-Base interactions energy: -630.563
where: short stacking energy: -279.003
Base-Backbone interact. energy: -1.641
local terms energy: -300.140363
where:
bonds (distance) C4'-P energy: -51.577
bonds (distance) P-C4' energy: -55.406
flat angles C4'-P-C4' energy: -65.721
flat angles P-C4'-P energy: -43.409
tors. eta vs tors. theta energy: -84.027
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: 5
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -860.589444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.589444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.589444 (E_RNA)
where:
Base-Base interactions energy: -598.986
where: short stacking energy: -258.619
Base-Backbone interact. energy: -0.654
local terms energy: -260.949479
where:
bonds (distance) C4'-P energy: -46.121
bonds (distance) P-C4' energy: -51.798
flat angles C4'-P-C4' energy: -57.432
flat angles P-C4'-P energy: -34.283
tors. eta vs tors. theta energy: -71.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -856.044148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.044148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.044148 (E_RNA)
where:
Base-Base interactions energy: -582.505
where: short stacking energy: -254.305
Base-Backbone interact. energy: -0.997
local terms energy: -272.541677
where:
bonds (distance) C4'-P energy: -46.498
bonds (distance) P-C4' energy: -51.128
flat angles C4'-P-C4' energy: -57.183
flat angles P-C4'-P energy: -43.925
tors. eta vs tors. theta energy: -73.807
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: 5, replica: 3
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -817.527907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.527907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.527907 (E_RNA)
where:
Base-Base interactions energy: -559.523
where: short stacking energy: -236.367
Base-Backbone interact. energy: 1.399
local terms energy: -259.403762
where:
bonds (distance) C4'-P energy: -48.874
bonds (distance) P-C4' energy: -44.438
flat angles C4'-P-C4' energy: -55.154
flat angles P-C4'-P energy: -37.116
tors. eta vs tors. theta energy: -73.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -777.813343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.813343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.813343 (E_RNA)
where:
Base-Base interactions energy: -540.743
where: short stacking energy: -215.585
Base-Backbone interact. energy: -0.115
local terms energy: -236.954913
where:
bonds (distance) C4'-P energy: -48.651
bonds (distance) P-C4' energy: -43.522
flat angles C4'-P-C4' energy: -42.859
flat angles P-C4'-P energy: -32.248
tors. eta vs tors. theta energy: -69.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -758.367129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.367129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.367129 (E_RNA)
where:
Base-Base interactions energy: -532.643
where: short stacking energy: -221.110
Base-Backbone interact. energy: -0.867
local terms energy: -224.856682
where:
bonds (distance) C4'-P energy: -47.505
bonds (distance) P-C4' energy: -45.158
flat angles C4'-P-C4' energy: -45.480
flat angles P-C4'-P energy: -27.404
tors. eta vs tors. theta energy: -59.310
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: 8, replica: 4
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -695.548579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.548579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.548579 (E_RNA)
where:
Base-Base interactions energy: -481.476
where: short stacking energy: -199.635
Base-Backbone interact. energy: 0.058
local terms energy: -214.130568
where:
bonds (distance) C4'-P energy: -50.126
bonds (distance) P-C4' energy: -32.477
flat angles C4'-P-C4' energy: -48.089
flat angles P-C4'-P energy: -29.267
tors. eta vs tors. theta energy: -54.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -378.010944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.010944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.010944 (E_RNA)
where:
Base-Base interactions energy: -209.202
where: short stacking energy: -114.519
Base-Backbone interact. energy: -0.101
local terms energy: -168.707924
where:
bonds (distance) C4'-P energy: -35.924
bonds (distance) P-C4' energy: -49.044
flat angles C4'-P-C4' energy: -39.981
flat angles P-C4'-P energy: -33.243
tors. eta vs tors. theta energy: -10.517
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: 6
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -220.695953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.695953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.695953 (E_RNA)
where:
Base-Base interactions energy: -72.881
where: short stacking energy: -57.179
Base-Backbone interact. energy: -0.478
local terms energy: -147.337231
where:
bonds (distance) C4'-P energy: -48.300
bonds (distance) P-C4' energy: -49.298
flat angles C4'-P-C4' energy: -36.325
flat angles P-C4'-P energy: -13.510
tors. eta vs tors. theta energy: 0.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -963.860925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.860925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.860925 (E_RNA)
where:
Base-Base interactions energy: -679.182
where: short stacking energy: -295.642
Base-Backbone interact. energy: -0.327
local terms energy: -284.351376
where:
bonds (distance) C4'-P energy: -45.704
bonds (distance) P-C4' energy: -53.233
flat angles C4'-P-C4' energy: -62.900
flat angles P-C4'-P energy: -35.816
tors. eta vs tors. theta energy: -86.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -915.518376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.518376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.518376 (E_RNA)
where:
Base-Base interactions energy: -644.487
where: short stacking energy: -270.371
Base-Backbone interact. energy: 0.353
local terms energy: -271.384416
where:
bonds (distance) C4'-P energy: -50.716
bonds (distance) P-C4' energy: -50.085
flat angles C4'-P-C4' energy: -55.113
flat angles P-C4'-P energy: -34.918
tors. eta vs tors. theta energy: -80.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -881.009063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.009063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.009063 (E_RNA)
where:
Base-Base interactions energy: -599.614
where: short stacking energy: -258.737
Base-Backbone interact. energy: -0.628
local terms energy: -280.767202
where:
bonds (distance) C4'-P energy: -54.015
bonds (distance) P-C4' energy: -49.570
flat angles C4'-P-C4' energy: -58.819
flat angles P-C4'-P energy: -38.041
tors. eta vs tors. theta energy: -80.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -840.631989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.631989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.631989 (E_RNA)
where:
Base-Base interactions energy: -584.881
where: short stacking energy: -249.059
Base-Backbone interact. energy: -0.549
local terms energy: -255.201320
where:
bonds (distance) C4'-P energy: -43.092
bonds (distance) P-C4' energy: -53.990
flat angles C4'-P-C4' energy: -58.397
flat angles P-C4'-P energy: -29.829
tors. eta vs tors. theta energy: -69.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -835.514403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.514403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.514403 (E_RNA)
where:
Base-Base interactions energy: -562.611
where: short stacking energy: -238.878
Base-Backbone interact. energy: -1.742
local terms energy: -271.161554
where:
bonds (distance) C4'-P energy: -48.132
bonds (distance) P-C4' energy: -54.442
flat angles C4'-P-C4' energy: -58.449
flat angles P-C4'-P energy: -36.645
tors. eta vs tors. theta energy: -73.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -773.427087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.427087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.427087 (E_RNA)
where:
Base-Base interactions energy: -531.682
where: short stacking energy: -225.769
Base-Backbone interact. energy: -0.456
local terms energy: -241.289438
where:
bonds (distance) C4'-P energy: -50.612
bonds (distance) P-C4' energy: -47.418
flat angles C4'-P-C4' energy: -39.157
flat angles P-C4'-P energy: -37.005
tors. eta vs tors. theta energy: -67.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -743.130015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.130015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.130015 (E_RNA)
where:
Base-Base interactions energy: -515.860
where: short stacking energy: -207.634
Base-Backbone interact. energy: 0.060
local terms energy: -227.330108
where:
bonds (distance) C4'-P energy: -38.676
bonds (distance) P-C4' energy: -45.968
flat angles C4'-P-C4' energy: -56.710
flat angles P-C4'-P energy: -27.684
tors. eta vs tors. theta energy: -58.292
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: 197
Temperature: 1.250000
Total energy: -702.075225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.075225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.075225 (E_RNA)
where:
Base-Base interactions energy: -491.595
where: short stacking energy: -206.127
Base-Backbone interact. energy: -0.781
local terms energy: -209.698711
where:
bonds (distance) C4'-P energy: -32.265
bonds (distance) P-C4' energy: -44.287
flat angles C4'-P-C4' energy: -51.086
flat angles P-C4'-P energy: -25.360
tors. eta vs tors. theta energy: -56.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -376.203449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.203449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.203449 (E_RNA)
where:
Base-Base interactions energy: -190.141
where: short stacking energy: -97.374
Base-Backbone interact. energy: -1.149
local terms energy: -184.913231
where:
bonds (distance) C4'-P energy: -46.101
bonds (distance) P-C4' energy: -52.601
flat angles C4'-P-C4' energy: -39.112
flat angles P-C4'-P energy: -34.252
tors. eta vs tors. theta energy: -12.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -241.740704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.740704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.740704 (E_RNA)
where:
Base-Base interactions energy: -108.482
where: short stacking energy: -67.919
Base-Backbone interact. energy: -1.348
local terms energy: -131.911189
where:
bonds (distance) C4'-P energy: -39.885
bonds (distance) P-C4' energy: -48.725
flat angles C4'-P-C4' energy: -25.891
flat angles P-C4'-P energy: -23.912
tors. eta vs tors. theta energy: 6.502
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: 2
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -936.576785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.576785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.576785 (E_RNA)
where:
Base-Base interactions energy: -660.020
where: short stacking energy: -260.326
Base-Backbone interact. energy: -1.102
local terms energy: -275.455031
where:
bonds (distance) C4'-P energy: -49.177
bonds (distance) P-C4' energy: -56.023
flat angles C4'-P-C4' energy: -59.934
flat angles P-C4'-P energy: -35.275
tors. eta vs tors. theta energy: -75.045
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: 1
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -937.355572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.355572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.355572 (E_RNA)
where:
Base-Base interactions energy: -646.547
where: short stacking energy: -283.081
Base-Backbone interact. energy: -0.973
local terms energy: -289.836218
where:
bonds (distance) C4'-P energy: -55.032
bonds (distance) P-C4' energy: -51.888
flat angles C4'-P-C4' energy: -61.513
flat angles P-C4'-P energy: -36.511
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: 3, replica: 5
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -903.265373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.265373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.265373 (E_RNA)
where:
Base-Base interactions energy: -614.403
where: short stacking energy: -259.772
Base-Backbone interact. energy: -1.820
local terms energy: -287.041779
where:
bonds (distance) C4'-P energy: -50.577
bonds (distance) P-C4' energy: -57.597
flat angles C4'-P-C4' energy: -56.785
flat angles P-C4'-P energy: -47.654
tors. eta vs tors. theta energy: -74.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -855.326433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.326433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.326433 (E_RNA)
where:
Base-Base interactions energy: -586.419
where: short stacking energy: -244.509
Base-Backbone interact. energy: -0.396
local terms energy: -268.511213
where:
bonds (distance) C4'-P energy: -50.152
bonds (distance) P-C4' energy: -52.953
flat angles C4'-P-C4' energy: -56.662
flat angles P-C4'-P energy: -39.915
tors. eta vs tors. theta energy: -68.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -804.604444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.604444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.604444 (E_RNA)
where:
Base-Base interactions energy: -552.759
where: short stacking energy: -237.426
Base-Backbone interact. energy: -0.168
local terms energy: -251.677795
where:
bonds (distance) C4'-P energy: -47.582
bonds (distance) P-C4' energy: -45.841
flat angles C4'-P-C4' energy: -52.368
flat angles P-C4'-P energy: -32.964
tors. eta vs tors. theta energy: -72.922
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: 6, replica: 3
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -805.773747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.773747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.773747 (E_RNA)
where:
Base-Base interactions energy: -547.322
where: short stacking energy: -242.184
Base-Backbone interact. energy: -0.200
local terms energy: -258.252049
where:
bonds (distance) C4'-P energy: -59.958
bonds (distance) P-C4' energy: -45.870
flat angles C4'-P-C4' energy: -46.557
flat angles P-C4'-P energy: -35.880
tors. eta vs tors. theta energy: -69.987
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: 198
Temperature: 1.200000
Total energy: -761.624778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.624778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.624778 (E_RNA)
where:
Base-Base interactions energy: -516.277
where: short stacking energy: -211.330
Base-Backbone interact. energy: 0.534
local terms energy: -245.882214
where:
bonds (distance) C4'-P energy: -53.686
bonds (distance) P-C4' energy: -39.690
flat angles C4'-P-C4' energy: -53.797
flat angles P-C4'-P energy: -34.718
tors. eta vs tors. theta energy: -63.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -708.802792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.802792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.802792 (E_RNA)
where:
Base-Base interactions energy: -484.258
where: short stacking energy: -197.411
Base-Backbone interact. energy: -0.998
local terms energy: -223.547371
where:
bonds (distance) C4'-P energy: -45.174
bonds (distance) P-C4' energy: -48.834
flat angles C4'-P-C4' energy: -51.175
flat angles P-C4'-P energy: -25.521
tors. eta vs tors. theta energy: -52.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -389.653026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.653026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.653026 (E_RNA)
where:
Base-Base interactions energy: -206.642
where: short stacking energy: -98.462
Base-Backbone interact. energy: 0.286
local terms energy: -183.296156
where:
bonds (distance) C4'-P energy: -37.874
bonds (distance) P-C4' energy: -52.778
flat angles C4'-P-C4' energy: -41.117
flat angles P-C4'-P energy: -33.194
tors. eta vs tors. theta energy: -18.332
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: 6
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -234.384609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.384609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.384609 (E_RNA)
where:
Base-Base interactions energy: -93.365
where: short stacking energy: -60.681
Base-Backbone interact. energy: -0.836
local terms energy: -140.183952
where:
bonds (distance) C4'-P energy: -49.534
bonds (distance) P-C4' energy: -48.888
flat angles C4'-P-C4' energy: -25.539
flat angles P-C4'-P energy: -26.126
tors. eta vs tors. theta energy: 9.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -943.018707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.018707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.018707 (E_RNA)
where:
Base-Base interactions energy: -659.340
where: short stacking energy: -273.411
Base-Backbone interact. energy: -0.221
local terms energy: -283.457772
where:
bonds (distance) C4'-P energy: -56.642
bonds (distance) P-C4' energy: -46.981
flat angles C4'-P-C4' energy: -59.018
flat angles P-C4'-P energy: -44.793
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: 2, replica: 1
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -927.147065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.147065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.147065 (E_RNA)
where:
Base-Base interactions energy: -641.592
where: short stacking energy: -286.455
Base-Backbone interact. energy: -0.226
local terms energy: -285.328555
where:
bonds (distance) C4'-P energy: -48.901
bonds (distance) P-C4' energy: -47.578
flat angles C4'-P-C4' energy: -57.069
flat angles P-C4'-P energy: -42.220
tors. eta vs tors. theta energy: -89.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -896.962082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.962082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.962082 (E_RNA)
where:
Base-Base interactions energy: -608.948
where: short stacking energy: -256.384
Base-Backbone interact. energy: -0.512
local terms energy: -287.502239
where:
bonds (distance) C4'-P energy: -42.731
bonds (distance) P-C4' energy: -63.167
flat angles C4'-P-C4' energy: -63.597
flat angles P-C4'-P energy: -41.520
tors. eta vs tors. theta energy: -76.488
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: 10
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -850.995212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.995212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.995212 (E_RNA)
where:
Base-Base interactions energy: -586.761
where: short stacking energy: -269.785
Base-Backbone interact. energy: -0.129
local terms energy: -264.105388
where:
bonds (distance) C4'-P energy: -45.521
bonds (distance) P-C4' energy: -49.998
flat angles C4'-P-C4' energy: -53.545
flat angles P-C4'-P energy: -41.183
tors. eta vs tors. theta energy: -73.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -827.605971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.605971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.605971 (E_RNA)
where:
Base-Base interactions energy: -555.834
where: short stacking energy: -241.369
Base-Backbone interact. energy: -1.401
local terms energy: -270.371267
where:
bonds (distance) C4'-P energy: -46.654
bonds (distance) P-C4' energy: -53.802
flat angles C4'-P-C4' energy: -55.551
flat angles P-C4'-P energy: -39.056
tors. eta vs tors. theta energy: -75.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -753.539885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.539885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.539885 (E_RNA)
where:
Base-Base interactions energy: -538.053
where: short stacking energy: -223.536
Base-Backbone interact. energy: -0.041
local terms energy: -215.446088
where:
bonds (distance) C4'-P energy: -33.057
bonds (distance) P-C4' energy: -37.426
flat angles C4'-P-C4' energy: -51.822
flat angles P-C4'-P energy: -30.475
tors. eta vs tors. theta energy: -62.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -721.666867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.666867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.666867 (E_RNA)
where:
Base-Base interactions energy: -496.982
where: short stacking energy: -204.027
Base-Backbone interact. energy: -0.298
local terms energy: -224.386853
where:
bonds (distance) C4'-P energy: -41.745
bonds (distance) P-C4' energy: -50.983
flat angles C4'-P-C4' energy: -54.608
flat angles P-C4'-P energy: -31.852
tors. eta vs tors. theta energy: -45.198
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: 4
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -672.908555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.908555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.908555 (E_RNA)
where:
Base-Base interactions energy: -472.349
where: short stacking energy: -183.513
Base-Backbone interact. energy: 0.358
local terms energy: -200.918113
where:
bonds (distance) C4'-P energy: -43.025
bonds (distance) P-C4' energy: -42.687
flat angles C4'-P-C4' energy: -54.113
flat angles P-C4'-P energy: -28.505
tors. eta vs tors. theta energy: -32.589
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: 199
Temperature: 1.300000
Total energy: -439.616241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.616241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.616241 (E_RNA)
where:
Base-Base interactions energy: -249.506
where: short stacking energy: -121.520
Base-Backbone interact. energy: -1.213
local terms energy: -188.896986
where:
bonds (distance) C4'-P energy: -50.975
bonds (distance) P-C4' energy: -51.999
flat angles C4'-P-C4' energy: -36.821
flat angles P-C4'-P energy: -33.782
tors. eta vs tors. theta energy: -15.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -219.012296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.012296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.012296 (E_RNA)
where:
Base-Base interactions energy: -75.855
where: short stacking energy: -53.945
Base-Backbone interact. energy: 1.903
local terms energy: -145.060792
where:
bonds (distance) C4'-P energy: -39.621
bonds (distance) P-C4' energy: -56.144
flat angles C4'-P-C4' energy: -31.129
flat angles P-C4'-P energy: -29.337
tors. eta vs tors. theta energy: 11.171
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: 2
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -941.342286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.342286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.342286 (E_RNA)
where:
Base-Base interactions energy: -660.371
where: short stacking energy: -280.538
Base-Backbone interact. energy: 1.218
local terms energy: -282.189619
where:
bonds (distance) C4'-P energy: -50.612
bonds (distance) P-C4' energy: -56.363
flat angles C4'-P-C4' energy: -59.727
flat angles P-C4'-P energy: -37.340
tors. eta vs tors. theta energy: -78.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -942.655441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.655441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.655441 (E_RNA)
where:
Base-Base interactions energy: -676.671
where: short stacking energy: -271.899
Base-Backbone interact. energy: -1.444
local terms energy: -264.540339
where:
bonds (distance) C4'-P energy: -48.383
bonds (distance) P-C4' energy: -41.030
flat angles C4'-P-C4' energy: -57.467
flat angles P-C4'-P energy: -36.331
tors. eta vs tors. theta energy: -81.329
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: 5
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -896.951420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.951420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.951420 (E_RNA)
where:
Base-Base interactions energy: -629.147
where: short stacking energy: -263.574
Base-Backbone interact. energy: -0.307
local terms energy: -267.496908
where:
bonds (distance) C4'-P energy: -52.222
bonds (distance) P-C4' energy: -54.235
flat angles C4'-P-C4' energy: -56.272
flat angles P-C4'-P energy: -34.715
tors. eta vs tors. theta energy: -70.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -832.069240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.069240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.069240 (E_RNA)
where:
Base-Base interactions energy: -560.503
where: short stacking energy: -244.713
Base-Backbone interact. energy: -0.736
local terms energy: -270.830377
where:
bonds (distance) C4'-P energy: -53.317
bonds (distance) P-C4' energy: -45.890
flat angles C4'-P-C4' energy: -56.089
flat angles P-C4'-P energy: -45.349
tors. eta vs tors. theta energy: -70.185
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: 8
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -843.527449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.527449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.527449 (E_RNA)
where:
Base-Base interactions energy: -577.104
where: short stacking energy: -243.353
Base-Backbone interact. energy: -1.343
local terms energy: -265.080423
where:
bonds (distance) C4'-P energy: -44.815
bonds (distance) P-C4' energy: -52.530
flat angles C4'-P-C4' energy: -56.887
flat angles P-C4'-P energy: -35.807
tors. eta vs tors. theta energy: -75.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -773.700254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.700254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.700254 (E_RNA)
where:
Base-Base interactions energy: -538.096
where: short stacking energy: -214.474
Base-Backbone interact. energy: -1.291
local terms energy: -234.313138
where:
bonds (distance) C4'-P energy: -46.112
bonds (distance) P-C4' energy: -44.967
flat angles C4'-P-C4' energy: -52.941
flat angles P-C4'-P energy: -33.650
tors. eta vs tors. theta energy: -56.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -727.573840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.573840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.573840 (E_RNA)
where:
Base-Base interactions energy: -505.908
where: short stacking energy: -218.804
Base-Backbone interact. energy: -2.128
local terms energy: -219.537978
where:
bonds (distance) C4'-P energy: -41.080
bonds (distance) P-C4' energy: -39.830
flat angles C4'-P-C4' energy: -53.415
flat angles P-C4'-P energy: -28.034
tors. eta vs tors. theta energy: -57.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -707.458714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.458714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.458714 (E_RNA)
where:
Base-Base interactions energy: -495.042
where: short stacking energy: -201.324
Base-Backbone interact. energy: -0.539
local terms energy: -211.877037
where:
bonds (distance) C4'-P energy: -46.971
bonds (distance) P-C4' energy: -29.068
flat angles C4'-P-C4' energy: -41.481
flat angles P-C4'-P energy: -35.837
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: 9, replica: 9
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -390.985920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.985920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.985920 (E_RNA)
where:
Base-Base interactions energy: -207.951
where: short stacking energy: -114.981
Base-Backbone interact. energy: -1.451
local terms energy: -181.583812
where:
bonds (distance) C4'-P energy: -41.124
bonds (distance) P-C4' energy: -48.725
flat angles C4'-P-C4' energy: -47.909
flat angles P-C4'-P energy: -33.277
tors. eta vs tors. theta energy: -10.548
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: 6
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -225.119193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.119193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.119193 (E_RNA)
where:
Base-Base interactions energy: -93.061
where: short stacking energy: -75.819
Base-Backbone interact. energy: -1.657
local terms energy: -130.400833
where:
bonds (distance) C4'-P energy: -46.518
bonds (distance) P-C4' energy: -43.427
flat angles C4'-P-C4' energy: -30.453
flat angles P-C4'-P energy: -14.668
tors. eta vs tors. theta energy: 4.666
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: 2
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -952.380499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.380499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.380499 (E_RNA)
where:
Base-Base interactions energy: -669.312
where: short stacking energy: -280.779
Base-Backbone interact. energy: -1.608
local terms energy: -281.459831
where:
bonds (distance) C4'-P energy: -55.871
bonds (distance) P-C4' energy: -52.645
flat angles C4'-P-C4' energy: -54.188
flat angles P-C4'-P energy: -41.778
tors. eta vs tors. theta energy: -76.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -951.962296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.962296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.962296 (E_RNA)
where:
Base-Base interactions energy: -649.710
where: short stacking energy: -287.778
Base-Backbone interact. energy: 1.933
local terms energy: -304.185588
where:
bonds (distance) C4'-P energy: -59.442
bonds (distance) P-C4' energy: -54.294
flat angles C4'-P-C4' energy: -59.836
flat angles P-C4'-P energy: -48.488
tors. eta vs tors. theta energy: -82.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -853.587771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.587771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.587771 (E_RNA)
where:
Base-Base interactions energy: -587.423
where: short stacking energy: -248.706
Base-Backbone interact. energy: -1.389
local terms energy: -264.776677
where:
bonds (distance) C4'-P energy: -48.004
bonds (distance) P-C4' energy: -56.143
flat angles C4'-P-C4' energy: -55.320
flat angles P-C4'-P energy: -33.430
tors. eta vs tors. theta energy: -71.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -844.937242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.937242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.937242 (E_RNA)
where:
Base-Base interactions energy: -583.642
where: short stacking energy: -240.966
Base-Backbone interact. energy: -1.685
local terms energy: -259.610907
where:
bonds (distance) C4'-P energy: -45.614
bonds (distance) P-C4' energy: -44.102
flat angles C4'-P-C4' energy: -55.664
flat angles P-C4'-P energy: -39.570
tors. eta vs tors. theta energy: -74.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -853.583886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.583886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.583886 (E_RNA)
where:
Base-Base interactions energy: -578.837
where: short stacking energy: -253.594
Base-Backbone interact. energy: -0.502
local terms energy: -274.245584
where:
bonds (distance) C4'-P energy: -53.263
bonds (distance) P-C4' energy: -57.951
flat angles C4'-P-C4' energy: -52.628
flat angles P-C4'-P energy: -36.185
tors. eta vs tors. theta energy: -74.219
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: 6, replica: 3
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -783.201625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.201625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.201625 (E_RNA)
where:
Base-Base interactions energy: -550.171
where: short stacking energy: -221.790
Base-Backbone interact. energy: 0.552
local terms energy: -233.582414
where:
bonds (distance) C4'-P energy: -42.126
bonds (distance) P-C4' energy: -47.290
flat angles C4'-P-C4' energy: -43.395
flat angles P-C4'-P energy: -39.712
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: 7, replica: 7
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -719.450785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.450785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.450785 (E_RNA)
where:
Base-Base interactions energy: -499.030
where: short stacking energy: -193.631
Base-Backbone interact. energy: -0.100
local terms energy: -220.321180
where:
bonds (distance) C4'-P energy: -45.671
bonds (distance) P-C4' energy: -42.240
flat angles C4'-P-C4' energy: -51.934
flat angles P-C4'-P energy: -27.775
tors. eta vs tors. theta energy: -52.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -727.608632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.608632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.608632 (E_RNA)
where:
Base-Base interactions energy: -506.972
where: short stacking energy: -212.801
Base-Backbone interact. energy: -0.502
local terms energy: -220.134709
where:
bonds (distance) C4'-P energy: -39.779
bonds (distance) P-C4' energy: -45.073
flat angles C4'-P-C4' energy: -48.031
flat angles P-C4'-P energy: -31.547
tors. eta vs tors. theta energy: -55.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -383.772151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.772151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.772151 (E_RNA)
where:
Base-Base interactions energy: -204.381
where: short stacking energy: -113.111
Base-Backbone interact. energy: -2.136
local terms energy: -177.254377
where:
bonds (distance) C4'-P energy: -44.845
bonds (distance) P-C4' energy: -49.727
flat angles C4'-P-C4' energy: -38.591
flat angles P-C4'-P energy: -28.157
tors. eta vs tors. theta energy: -15.935
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: 6
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -234.456006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.456006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.456006 (E_RNA)
where:
Base-Base interactions energy: -96.106
where: short stacking energy: -64.415
Base-Backbone interact. energy: 4.011
local terms energy: -142.360508
where:
bonds (distance) C4'-P energy: -43.242
bonds (distance) P-C4' energy: -50.735
flat angles C4'-P-C4' energy: -41.976
flat angles P-C4'-P energy: -18.327
tors. eta vs tors. theta energy: 11.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -955.771856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.771856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.771856 (E_RNA)
where:
Base-Base interactions energy: -669.246
where: short stacking energy: -273.307
Base-Backbone interact. energy: -0.497
local terms energy: -286.028209
where:
bonds (distance) C4'-P energy: -52.924
bonds (distance) P-C4' energy: -53.599
flat angles C4'-P-C4' energy: -60.144
flat angles P-C4'-P energy: -38.296
tors. eta vs tors. theta energy: -81.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -948.117145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.117145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.117145 (E_RNA)
where:
Base-Base interactions energy: -666.126
where: short stacking energy: -283.528
Base-Backbone interact. energy: -1.434
local terms energy: -280.556836
where:
bonds (distance) C4'-P energy: -41.754
bonds (distance) P-C4' energy: -59.012
flat angles C4'-P-C4' energy: -56.315
flat angles P-C4'-P energy: -40.803
tors. eta vs tors. theta energy: -82.673
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: 202
Temperature: 1.000000
Total energy: -861.163479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.163479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.163479 (E_RNA)
where:
Base-Base interactions energy: -598.151
where: short stacking energy: -261.321
Base-Backbone interact. energy: -0.145
local terms energy: -262.867687
where:
bonds (distance) C4'-P energy: -40.319
bonds (distance) P-C4' energy: -49.578
flat angles C4'-P-C4' energy: -53.102
flat angles P-C4'-P energy: -44.321
tors. eta vs tors. theta energy: -75.547
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: 10
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -824.997171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.997171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.997171 (E_RNA)
where:
Base-Base interactions energy: -561.962
where: short stacking energy: -247.043
Base-Backbone interact. energy: 0.365
local terms energy: -263.400800
where:
bonds (distance) C4'-P energy: -45.021
bonds (distance) P-C4' energy: -54.090
flat angles C4'-P-C4' energy: -55.667
flat angles P-C4'-P energy: -38.929
tors. eta vs tors. theta energy: -69.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -815.291352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.291352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.291352 (E_RNA)
where:
Base-Base interactions energy: -546.010
where: short stacking energy: -227.479
Base-Backbone interact. energy: -0.828
local terms energy: -268.453389
where:
bonds (distance) C4'-P energy: -53.025
bonds (distance) P-C4' energy: -49.918
flat angles C4'-P-C4' energy: -58.943
flat angles P-C4'-P energy: -31.824
tors. eta vs tors. theta energy: -74.742
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: 8
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -832.151160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.151160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.151160 (E_RNA)
where:
Base-Base interactions energy: -591.551
where: short stacking energy: -225.946
Base-Backbone interact. energy: 0.600
local terms energy: -241.199696
where:
bonds (distance) C4'-P energy: -36.973
bonds (distance) P-C4' energy: -49.770
flat angles C4'-P-C4' energy: -54.414
flat angles P-C4'-P energy: -26.860
tors. eta vs tors. theta energy: -73.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -709.216039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.216039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.216039 (E_RNA)
where:
Base-Base interactions energy: -490.918
where: short stacking energy: -193.904
Base-Backbone interact. energy: 0.839
local terms energy: -219.137162
where:
bonds (distance) C4'-P energy: -37.147
bonds (distance) P-C4' energy: -38.637
flat angles C4'-P-C4' energy: -56.657
flat angles P-C4'-P energy: -36.504
tors. eta vs tors. theta energy: -50.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -726.668654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.668654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.668654 (E_RNA)
where:
Base-Base interactions energy: -515.996
where: short stacking energy: -198.678
Base-Backbone interact. energy: -2.355
local terms energy: -208.317668
where:
bonds (distance) C4'-P energy: -41.583
bonds (distance) P-C4' energy: -43.166
flat angles C4'-P-C4' energy: -48.676
flat angles P-C4'-P energy: -29.437
tors. eta vs tors. theta energy: -45.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -372.646743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.646743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.646743 (E_RNA)
where:
Base-Base interactions energy: -203.493
where: short stacking energy: -111.951
Base-Backbone interact. energy: 2.017
local terms energy: -171.171134
where:
bonds (distance) C4'-P energy: -39.145
bonds (distance) P-C4' energy: -47.283
flat angles C4'-P-C4' energy: -49.226
flat angles P-C4'-P energy: -28.834
tors. eta vs tors. theta energy: -6.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -227.942261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.942261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.942261 (E_RNA)
where:
Base-Base interactions energy: -72.359
where: short stacking energy: -43.266
Base-Backbone interact. energy: -1.082
local terms energy: -154.501928
where:
bonds (distance) C4'-P energy: -49.594
bonds (distance) P-C4' energy: -37.501
flat angles C4'-P-C4' energy: -45.889
flat angles P-C4'-P energy: -25.792
tors. eta vs tors. theta energy: 4.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -956.542315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.542315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.542315 (E_RNA)
where:
Base-Base interactions energy: -662.041
where: short stacking energy: -269.006
Base-Backbone interact. energy: -1.864
local terms energy: -292.637589
where:
bonds (distance) C4'-P energy: -54.024
bonds (distance) P-C4' energy: -58.252
flat angles C4'-P-C4' energy: -61.320
flat angles P-C4'-P energy: -42.899
tors. eta vs tors. theta energy: -76.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -935.060187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.060187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.060187 (E_RNA)
where:
Base-Base interactions energy: -655.941
where: short stacking energy: -281.433
Base-Backbone interact. energy: 2.141
local terms energy: -281.260543
where:
bonds (distance) C4'-P energy: -48.284
bonds (distance) P-C4' energy: -42.276
flat angles C4'-P-C4' energy: -63.166
flat angles P-C4'-P energy: -43.064
tors. eta vs tors. theta energy: -84.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -862.007059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.007059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.007059 (E_RNA)
where:
Base-Base interactions energy: -603.467
where: short stacking energy: -276.603
Base-Backbone interact. energy: -0.289
local terms energy: -258.251379
where:
bonds (distance) C4'-P energy: -37.956
bonds (distance) P-C4' energy: -49.789
flat angles C4'-P-C4' energy: -57.119
flat angles P-C4'-P energy: -34.418
tors. eta vs tors. theta energy: -78.969
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: 4, replica: 3
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -838.437458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.437458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.437458 (E_RNA)
where:
Base-Base interactions energy: -576.060
where: short stacking energy: -244.550
Base-Backbone interact. energy: -0.739
local terms energy: -261.639103
where:
bonds (distance) C4'-P energy: -41.846
bonds (distance) P-C4' energy: -62.599
flat angles C4'-P-C4' energy: -45.294
flat angles P-C4'-P energy: -39.037
tors. eta vs tors. theta energy: -72.864
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: 10
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -787.517067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.517067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.517067 (E_RNA)
where:
Base-Base interactions energy: -555.963
where: short stacking energy: -225.035
Base-Backbone interact. energy: -0.242
local terms energy: -231.312441
where:
bonds (distance) C4'-P energy: -39.545
bonds (distance) P-C4' energy: -47.594
flat angles C4'-P-C4' energy: -52.870
flat angles P-C4'-P energy: -33.657
tors. eta vs tors. theta energy: -57.647
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: 6, replica: 8
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -812.771281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.771281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.771281 (E_RNA)
where:
Base-Base interactions energy: -559.489
where: short stacking energy: -248.435
Base-Backbone interact. energy: 0.454
local terms energy: -253.735967
where:
bonds (distance) C4'-P energy: -49.011
bonds (distance) P-C4' energy: -44.867
flat angles C4'-P-C4' energy: -50.717
flat angles P-C4'-P energy: -33.656
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: 7, replica: 4
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -744.218767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.218767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.218767 (E_RNA)
where:
Base-Base interactions energy: -499.881
where: short stacking energy: -212.120
Base-Backbone interact. energy: -1.002
local terms energy: -243.335843
where:
bonds (distance) C4'-P energy: -45.712
bonds (distance) P-C4' energy: -47.468
flat angles C4'-P-C4' energy: -51.182
flat angles P-C4'-P energy: -38.527
tors. eta vs tors. theta energy: -60.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -704.550306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.550306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.550306 (E_RNA)
where:
Base-Base interactions energy: -489.148
where: short stacking energy: -196.550
Base-Backbone interact. energy: -0.938
local terms energy: -214.464449
where:
bonds (distance) C4'-P energy: -28.860
bonds (distance) P-C4' energy: -48.832
flat angles C4'-P-C4' energy: -51.833
flat angles P-C4'-P energy: -33.370
tors. eta vs tors. theta energy: -51.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -392.540867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.540867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.540867 (E_RNA)
where:
Base-Base interactions energy: -205.608
where: short stacking energy: -89.878
Base-Backbone interact. energy: -1.541
local terms energy: -185.392290
where:
bonds (distance) C4'-P energy: -51.291
bonds (distance) P-C4' energy: -54.119
flat angles C4'-P-C4' energy: -37.810
flat angles P-C4'-P energy: -24.803
tors. eta vs tors. theta energy: -17.370
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: 10, replica: 6
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -219.734520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.734520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.734520 (E_RNA)
where:
Base-Base interactions energy: -79.763
where: short stacking energy: -56.207
Base-Backbone interact. energy: 3.848
local terms energy: -143.819592
where:
bonds (distance) C4'-P energy: -49.150
bonds (distance) P-C4' energy: -40.637
flat angles C4'-P-C4' energy: -37.086
flat angles P-C4'-P energy: -30.127
tors. eta vs tors. theta energy: 13.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -967.208287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.208287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.208287 (E_RNA)
where:
Base-Base interactions energy: -668.939
where: short stacking energy: -294.925
Base-Backbone interact. energy: -1.794
local terms energy: -296.476076
where:
bonds (distance) C4'-P energy: -48.439
bonds (distance) P-C4' energy: -59.363
flat angles C4'-P-C4' energy: -59.226
flat angles P-C4'-P energy: -44.067
tors. eta vs tors. theta energy: -85.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -935.127782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.127782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.127782 (E_RNA)
where:
Base-Base interactions energy: -667.318
where: short stacking energy: -280.506
Base-Backbone interact. energy: -1.321
local terms energy: -266.488530
where:
bonds (distance) C4'-P energy: -41.643
bonds (distance) P-C4' energy: -44.678
flat angles C4'-P-C4' energy: -63.946
flat angles P-C4'-P energy: -41.013
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: 3, replica: 5
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -869.040287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.040287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.040287 (E_RNA)
where:
Base-Base interactions energy: -606.873
where: short stacking energy: -259.595
Base-Backbone interact. energy: 0.113
local terms energy: -262.280340
where:
bonds (distance) C4'-P energy: -50.931
bonds (distance) P-C4' energy: -39.801
flat angles C4'-P-C4' energy: -60.072
flat angles P-C4'-P energy: -38.017
tors. eta vs tors. theta energy: -73.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -847.134860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.134860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.134860 (E_RNA)
where:
Base-Base interactions energy: -584.778
where: short stacking energy: -239.351
Base-Backbone interact. energy: 0.398
local terms energy: -262.754687
where:
bonds (distance) C4'-P energy: -47.557
bonds (distance) P-C4' energy: -51.301
flat angles C4'-P-C4' energy: -56.802
flat angles P-C4'-P energy: -41.233
tors. eta vs tors. theta energy: -65.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -829.470155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.470155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.470155 (E_RNA)
where:
Base-Base interactions energy: -570.838
where: short stacking energy: -237.752
Base-Backbone interact. energy: -0.663
local terms energy: -257.969114
where:
bonds (distance) C4'-P energy: -50.326
bonds (distance) P-C4' energy: -49.853
flat angles C4'-P-C4' energy: -56.006
flat angles P-C4'-P energy: -34.956
tors. eta vs tors. theta energy: -66.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -749.914204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.914204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.914204 (E_RNA)
where:
Base-Base interactions energy: -522.570
where: short stacking energy: -214.120
Base-Backbone interact. energy: -0.094
local terms energy: -227.250085
where:
bonds (distance) C4'-P energy: -34.675
bonds (distance) P-C4' energy: -45.776
flat angles C4'-P-C4' energy: -51.011
flat angles P-C4'-P energy: -42.393
tors. eta vs tors. theta energy: -53.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -708.250396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.250396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.250396 (E_RNA)
where:
Base-Base interactions energy: -498.531
where: short stacking energy: -200.419
Base-Backbone interact. energy: -1.308
local terms energy: -208.411027
where:
bonds (distance) C4'-P energy: -40.724
bonds (distance) P-C4' energy: -50.546
flat angles C4'-P-C4' energy: -47.408
flat angles P-C4'-P energy: -20.373
tors. eta vs tors. theta energy: -49.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -709.652695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.652695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.652695 (E_RNA)
where:
Base-Base interactions energy: -494.808
where: short stacking energy: -205.937
Base-Backbone interact. energy: -0.860
local terms energy: -213.985047
where:
bonds (distance) C4'-P energy: -43.659
bonds (distance) P-C4' energy: -30.379
flat angles C4'-P-C4' energy: -44.498
flat angles P-C4'-P energy: -35.982
tors. eta vs tors. theta energy: -59.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -397.322364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.322364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.322364 (E_RNA)
where:
Base-Base interactions energy: -216.331
where: short stacking energy: -112.866
Base-Backbone interact. energy: -1.545
local terms energy: -179.446699
where:
bonds (distance) C4'-P energy: -48.074
bonds (distance) P-C4' energy: -46.786
flat angles C4'-P-C4' energy: -40.559
flat angles P-C4'-P energy: -27.428
tors. eta vs tors. theta energy: -16.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -242.984727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.984727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.984727 (E_RNA)
where:
Base-Base interactions energy: -85.293
where: short stacking energy: -65.383
Base-Backbone interact. energy: 2.980
local terms energy: -160.671356
where:
bonds (distance) C4'-P energy: -43.795
bonds (distance) P-C4' energy: -48.437
flat angles C4'-P-C4' energy: -50.200
flat angles P-C4'-P energy: -19.111
tors. eta vs tors. theta energy: 0.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -958.616474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.616474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.616474 (E_RNA)
where:
Base-Base interactions energy: -672.718
where: short stacking energy: -276.667
Base-Backbone interact. energy: -0.406
local terms energy: -285.492698
where:
bonds (distance) C4'-P energy: -43.546
bonds (distance) P-C4' energy: -55.443
flat angles C4'-P-C4' energy: -61.384
flat angles P-C4'-P energy: -44.903
tors. eta vs tors. theta energy: -80.217
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: 2, replica: 2
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -931.460076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.460076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.460076 (E_RNA)
where:
Base-Base interactions energy: -637.898
where: short stacking energy: -273.154
Base-Backbone interact. energy: -1.684
local terms energy: -291.878149
where:
bonds (distance) C4'-P energy: -52.573
bonds (distance) P-C4' energy: -59.914
flat angles C4'-P-C4' energy: -61.870
flat angles P-C4'-P energy: -33.511
tors. eta vs tors. theta energy: -84.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -863.174700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.174700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.174700 (E_RNA)
where:
Base-Base interactions energy: -597.597
where: short stacking energy: -254.331
Base-Backbone interact. energy: -0.904
local terms energy: -264.673095
where:
bonds (distance) C4'-P energy: -42.860
bonds (distance) P-C4' energy: -45.355
flat angles C4'-P-C4' energy: -59.540
flat angles P-C4'-P energy: -43.345
tors. eta vs tors. theta energy: -73.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -845.218897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.218897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.218897 (E_RNA)
where:
Base-Base interactions energy: -590.673
where: short stacking energy: -248.711
Base-Backbone interact. energy: -1.568
local terms energy: -252.978676
where:
bonds (distance) C4'-P energy: -44.017
bonds (distance) P-C4' energy: -47.279
flat angles C4'-P-C4' energy: -52.436
flat angles P-C4'-P energy: -45.759
tors. eta vs tors. theta energy: -63.487
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: 5, replica: 3
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -812.817388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.817388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.817388 (E_RNA)
where:
Base-Base interactions energy: -576.097
where: short stacking energy: -239.960
Base-Backbone interact. energy: -0.527
local terms energy: -236.193301
where:
bonds (distance) C4'-P energy: -42.410
bonds (distance) P-C4' energy: -45.543
flat angles C4'-P-C4' energy: -52.312
flat angles P-C4'-P energy: -32.837
tors. eta vs tors. theta energy: -63.092
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: 6, replica: 7
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -731.349009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.349009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.349009 (E_RNA)
where:
Base-Base interactions energy: -522.864
where: short stacking energy: -200.383
Base-Backbone interact. energy: 0.079
local terms energy: -208.563720
where:
bonds (distance) C4'-P energy: -35.998
bonds (distance) P-C4' energy: -49.816
flat angles C4'-P-C4' energy: -47.639
flat angles P-C4'-P energy: -29.525
tors. eta vs tors. theta energy: -45.585
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: 205
Temperature: 1.200000
Total energy: -712.829691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.829691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.829691 (E_RNA)
where:
Base-Base interactions energy: -488.885
where: short stacking energy: -189.257
Base-Backbone interact. energy: 4.030
local terms energy: -227.975185
where:
bonds (distance) C4'-P energy: -49.241
bonds (distance) P-C4' energy: -42.179
flat angles C4'-P-C4' energy: -52.909
flat angles P-C4'-P energy: -40.046
tors. eta vs tors. theta energy: -43.599
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: 4
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -707.697857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.697857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.697857 (E_RNA)
where:
Base-Base interactions energy: -481.998
where: short stacking energy: -210.003
Base-Backbone interact. energy: -1.590
local terms energy: -224.109633
where:
bonds (distance) C4'-P energy: -46.673
bonds (distance) P-C4' energy: -41.921
flat angles C4'-P-C4' energy: -43.477
flat angles P-C4'-P energy: -33.122
tors. eta vs tors. theta energy: -58.916
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: 205
Temperature: 1.300000
Total energy: -375.750553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.750553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.750553 (E_RNA)
where:
Base-Base interactions energy: -189.950
where: short stacking energy: -99.310
Base-Backbone interact. energy: -2.511
local terms energy: -183.289944
where:
bonds (distance) C4'-P energy: -39.339
bonds (distance) P-C4' energy: -50.867
flat angles C4'-P-C4' energy: -45.081
flat angles P-C4'-P energy: -34.297
tors. eta vs tors. theta energy: -13.705
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: 6
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -238.936604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.936604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.936604 (E_RNA)
where:
Base-Base interactions energy: -96.082
where: short stacking energy: -74.016
Base-Backbone interact. energy: 1.547
local terms energy: -144.401410
where:
bonds (distance) C4'-P energy: -47.212
bonds (distance) P-C4' energy: -42.209
flat angles C4'-P-C4' energy: -35.122
flat angles P-C4'-P energy: -18.162
tors. eta vs tors. theta energy: -1.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -956.510911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.510911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.510911 (E_RNA)
where:
Base-Base interactions energy: -670.960
where: short stacking energy: -293.092
Base-Backbone interact. energy: -0.374
local terms energy: -285.176877
where:
bonds (distance) C4'-P energy: -52.632
bonds (distance) P-C4' energy: -59.522
flat angles C4'-P-C4' energy: -57.241
flat angles P-C4'-P energy: -34.303
tors. eta vs tors. theta energy: -81.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -932.143134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.143134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.143134 (E_RNA)
where:
Base-Base interactions energy: -637.034
where: short stacking energy: -268.005
Base-Backbone interact. energy: -0.663
local terms energy: -294.446143
where:
bonds (distance) C4'-P energy: -49.032
bonds (distance) P-C4' energy: -56.691
flat angles C4'-P-C4' energy: -65.590
flat angles P-C4'-P energy: -37.339
tors. eta vs tors. theta energy: -85.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -850.360329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.360329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.360329 (E_RNA)
where:
Base-Base interactions energy: -592.920
where: short stacking energy: -246.602
Base-Backbone interact. energy: -1.691
local terms energy: -255.749892
where:
bonds (distance) C4'-P energy: -40.574
bonds (distance) P-C4' energy: -50.203
flat angles C4'-P-C4' energy: -59.171
flat angles P-C4'-P energy: -38.668
tors. eta vs tors. theta energy: -67.133
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: 8
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -856.935462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.935462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.935462 (E_RNA)
where:
Base-Base interactions energy: -597.475
where: short stacking energy: -245.193
Base-Backbone interact. energy: -0.623
local terms energy: -258.837012
where:
bonds (distance) C4'-P energy: -38.580
bonds (distance) P-C4' energy: -50.656
flat angles C4'-P-C4' energy: -59.953
flat angles P-C4'-P energy: -38.633
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: 5, replica: 3
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -783.025071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.025071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.025071 (E_RNA)
where:
Base-Base interactions energy: -534.561
where: short stacking energy: -221.821
Base-Backbone interact. energy: 0.545
local terms energy: -249.008967
where:
bonds (distance) C4'-P energy: -53.137
bonds (distance) P-C4' energy: -46.541
flat angles C4'-P-C4' energy: -45.314
flat angles P-C4'-P energy: -39.000
tors. eta vs tors. theta energy: -65.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -712.395723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.395723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.395723 (E_RNA)
where:
Base-Base interactions energy: -497.286
where: short stacking energy: -197.364
Base-Backbone interact. energy: 0.344
local terms energy: -215.454279
where:
bonds (distance) C4'-P energy: -43.256
bonds (distance) P-C4' energy: -43.009
flat angles C4'-P-C4' energy: -53.162
flat angles P-C4'-P energy: -36.408
tors. eta vs tors. theta energy: -39.619
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: 7, replica: 10
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -745.839823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.839823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.839823 (E_RNA)
where:
Base-Base interactions energy: -507.577
where: short stacking energy: -220.853
Base-Backbone interact. energy: -0.291
local terms energy: -237.971303
where:
bonds (distance) C4'-P energy: -41.041
bonds (distance) P-C4' energy: -47.905
flat angles C4'-P-C4' energy: -49.593
flat angles P-C4'-P energy: -37.268
tors. eta vs tors. theta energy: -62.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -709.236189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.236189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.236189 (E_RNA)
where:
Base-Base interactions energy: -494.325
where: short stacking energy: -195.865
Base-Backbone interact. energy: 0.906
local terms energy: -215.816676
where:
bonds (distance) C4'-P energy: -38.924
bonds (distance) P-C4' energy: -44.857
flat angles C4'-P-C4' energy: -54.444
flat angles P-C4'-P energy: -28.580
tors. eta vs tors. theta energy: -49.011
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: 9
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -384.481531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.481531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.481531 (E_RNA)
where:
Base-Base interactions energy: -210.578
where: short stacking energy: -115.278
Base-Backbone interact. energy: -0.641
local terms energy: -173.262794
where:
bonds (distance) C4'-P energy: -44.378
bonds (distance) P-C4' energy: -43.737
flat angles C4'-P-C4' energy: -38.972
flat angles P-C4'-P energy: -24.294
tors. eta vs tors. theta energy: -21.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -228.162407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.162407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.162407 (E_RNA)
where:
Base-Base interactions energy: -81.786
where: short stacking energy: -66.498
Base-Backbone interact. energy: -0.390
local terms energy: -145.987157
where:
bonds (distance) C4'-P energy: -42.639
bonds (distance) P-C4' energy: -37.057
flat angles C4'-P-C4' energy: -40.372
flat angles P-C4'-P energy: -31.511
tors. eta vs tors. theta energy: 5.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -950.599114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.599114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.599114 (E_RNA)
where:
Base-Base interactions energy: -656.939
where: short stacking energy: -288.368
Base-Backbone interact. energy: -1.900
local terms energy: -291.760062
where:
bonds (distance) C4'-P energy: -53.644
bonds (distance) P-C4' energy: -55.951
flat angles C4'-P-C4' energy: -57.354
flat angles P-C4'-P energy: -39.279
tors. eta vs tors. theta energy: -85.532
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: 207
Temperature: 0.950000
Total energy: -919.125029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.125029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.125029 (E_RNA)
where:
Base-Base interactions energy: -640.382
where: short stacking energy: -281.601
Base-Backbone interact. energy: -2.134
local terms energy: -276.609429
where:
bonds (distance) C4'-P energy: -52.611
bonds (distance) P-C4' energy: -51.282
flat angles C4'-P-C4' energy: -53.645
flat angles P-C4'-P energy: -36.828
tors. eta vs tors. theta energy: -82.243
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: 3, replica: 5
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -838.095922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.095922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.095922 (E_RNA)
where:
Base-Base interactions energy: -590.281
where: short stacking energy: -253.415
Base-Backbone interact. energy: 0.463
local terms energy: -248.277710
where:
bonds (distance) C4'-P energy: -50.402
bonds (distance) P-C4' energy: -45.726
flat angles C4'-P-C4' energy: -47.909
flat angles P-C4'-P energy: -34.601
tors. eta vs tors. theta energy: -69.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -849.702830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.702830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.702830 (E_RNA)
where:
Base-Base interactions energy: -590.275
where: short stacking energy: -250.105
Base-Backbone interact. energy: -1.677
local terms energy: -257.750405
where:
bonds (distance) C4'-P energy: -52.849
bonds (distance) P-C4' energy: -48.920
flat angles C4'-P-C4' energy: -49.433
flat angles P-C4'-P energy: -29.255
tors. eta vs tors. theta energy: -77.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -821.144863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.144863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.144863 (E_RNA)
where:
Base-Base interactions energy: -560.607
where: short stacking energy: -227.190
Base-Backbone interact. energy: -0.662
local terms energy: -259.875356
where:
bonds (distance) C4'-P energy: -44.572
bonds (distance) P-C4' energy: -53.245
flat angles C4'-P-C4' energy: -52.634
flat angles P-C4'-P energy: -38.336
tors. eta vs tors. theta energy: -71.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -739.486712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.486712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.486712 (E_RNA)
where:
Base-Base interactions energy: -507.999
where: short stacking energy: -209.104
Base-Backbone interact. energy: -1.371
local terms energy: -230.116193
where:
bonds (distance) C4'-P energy: -35.735
bonds (distance) P-C4' energy: -42.575
flat angles C4'-P-C4' energy: -55.083
flat angles P-C4'-P energy: -37.513
tors. eta vs tors. theta energy: -59.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -744.846317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.846317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.846317 (E_RNA)
where:
Base-Base interactions energy: -516.454
where: short stacking energy: -202.803
Base-Backbone interact. energy: -0.271
local terms energy: -228.121295
where:
bonds (distance) C4'-P energy: -41.225
bonds (distance) P-C4' energy: -48.786
flat angles C4'-P-C4' energy: -54.918
flat angles P-C4'-P energy: -33.867
tors. eta vs tors. theta energy: -49.325
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: 8, replica: 4
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -659.876281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.876281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.876281 (E_RNA)
where:
Base-Base interactions energy: -445.376
where: short stacking energy: -173.455
Base-Backbone interact. energy: -0.373
local terms energy: -214.127490
where:
bonds (distance) C4'-P energy: -49.132
bonds (distance) P-C4' energy: -43.977
flat angles C4'-P-C4' energy: -50.001
flat angles P-C4'-P energy: -31.153
tors. eta vs tors. theta energy: -39.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -378.753309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.753309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.753309 (E_RNA)
where:
Base-Base interactions energy: -208.457
where: short stacking energy: -111.256
Base-Backbone interact. energy: -2.241
local terms energy: -168.054706
where:
bonds (distance) C4'-P energy: -27.369
bonds (distance) P-C4' energy: -52.849
flat angles C4'-P-C4' energy: -41.711
flat angles P-C4'-P energy: -31.442
tors. eta vs tors. theta energy: -14.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -235.934348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.934348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.934348 (E_RNA)
where:
Base-Base interactions energy: -79.347
where: short stacking energy: -72.530
Base-Backbone interact. energy: -2.188
local terms energy: -154.399299
where:
bonds (distance) C4'-P energy: -52.233
bonds (distance) P-C4' energy: -33.072
flat angles C4'-P-C4' energy: -43.811
flat angles P-C4'-P energy: -21.259
tors. eta vs tors. theta energy: -4.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -956.100274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.100274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.100274 (E_RNA)
where:
Base-Base interactions energy: -673.272
where: short stacking energy: -287.589
Base-Backbone interact. energy: -0.700
local terms energy: -282.128267
where:
bonds (distance) C4'-P energy: -46.951
bonds (distance) P-C4' energy: -53.020
flat angles C4'-P-C4' energy: -61.362
flat angles P-C4'-P energy: -42.151
tors. eta vs tors. theta energy: -78.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -916.248146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.248146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.248146 (E_RNA)
where:
Base-Base interactions energy: -632.741
where: short stacking energy: -256.493
Base-Backbone interact. energy: -1.623
local terms energy: -281.884388
where:
bonds (distance) C4'-P energy: -52.284
bonds (distance) P-C4' energy: -45.395
flat angles C4'-P-C4' energy: -64.008
flat angles P-C4'-P energy: -40.445
tors. eta vs tors. theta energy: -79.752
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: 8
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -870.052925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.052925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.052925 (E_RNA)
where:
Base-Base interactions energy: -600.062
where: short stacking energy: -247.885
Base-Backbone interact. energy: -0.364
local terms energy: -269.626575
where:
bonds (distance) C4'-P energy: -58.428
bonds (distance) P-C4' energy: -46.438
flat angles C4'-P-C4' energy: -58.554
flat angles P-C4'-P energy: -36.607
tors. eta vs tors. theta energy: -69.600
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: 208
Temperature: 1.050000
Total energy: -804.418764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.418764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.418764 (E_RNA)
where:
Base-Base interactions energy: -550.012
where: short stacking energy: -231.568
Base-Backbone interact. energy: -0.902
local terms energy: -253.504849
where:
bonds (distance) C4'-P energy: -48.625
bonds (distance) P-C4' energy: -59.194
flat angles C4'-P-C4' energy: -52.374
flat angles P-C4'-P energy: -35.415
tors. eta vs tors. theta energy: -57.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -832.330138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.330138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.330138 (E_RNA)
where:
Base-Base interactions energy: -572.320
where: short stacking energy: -224.319
Base-Backbone interact. energy: -0.352
local terms energy: -259.658108
where:
bonds (distance) C4'-P energy: -52.429
bonds (distance) P-C4' energy: -46.105
flat angles C4'-P-C4' energy: -51.334
flat angles P-C4'-P energy: -37.766
tors. eta vs tors. theta energy: -72.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -742.664962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.664962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.664962 (E_RNA)
where:
Base-Base interactions energy: -507.075
where: short stacking energy: -206.379
Base-Backbone interact. energy: -1.456
local terms energy: -234.134676
where:
bonds (distance) C4'-P energy: -44.848
bonds (distance) P-C4' energy: -44.911
flat angles C4'-P-C4' energy: -51.339
flat angles P-C4'-P energy: -29.648
tors. eta vs tors. theta energy: -63.389
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: 208
Temperature: 1.200000
Total energy: -725.564043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.564043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.564043 (E_RNA)
where:
Base-Base interactions energy: -501.396
where: short stacking energy: -191.747
Base-Backbone interact. energy: -0.863
local terms energy: -223.305138
where:
bonds (distance) C4'-P energy: -46.349
bonds (distance) P-C4' energy: -48.862
flat angles C4'-P-C4' energy: -49.436
flat angles P-C4'-P energy: -29.774
tors. eta vs tors. theta energy: -48.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -723.114338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.114338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.114338 (E_RNA)
where:
Base-Base interactions energy: -500.215
where: short stacking energy: -216.165
Base-Backbone interact. energy: -0.600
local terms energy: -222.299708
where:
bonds (distance) C4'-P energy: -31.978
bonds (distance) P-C4' energy: -47.461
flat angles C4'-P-C4' energy: -54.108
flat angles P-C4'-P energy: -27.576
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: 9, replica: 9
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -460.380642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.380642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.380642 (E_RNA)
where:
Base-Base interactions energy: -270.267
where: short stacking energy: -131.993
Base-Backbone interact. energy: -0.484
local terms energy: -189.629794
where:
bonds (distance) C4'-P energy: -44.163
bonds (distance) P-C4' energy: -44.761
flat angles C4'-P-C4' energy: -44.516
flat angles P-C4'-P energy: -33.089
tors. eta vs tors. theta energy: -23.101
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: 6
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -209.360385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.360385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.360385 (E_RNA)
where:
Base-Base interactions energy: -65.422
where: short stacking energy: -61.185
Base-Backbone interact. energy: -0.984
local terms energy: -142.954696
where:
bonds (distance) C4'-P energy: -44.845
bonds (distance) P-C4' energy: -49.844
flat angles C4'-P-C4' energy: -34.183
flat angles P-C4'-P energy: -17.762
tors. eta vs tors. theta energy: 3.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -914.361176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.361176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.361176 (E_RNA)
where:
Base-Base interactions energy: -645.681
where: short stacking energy: -264.117
Base-Backbone interact. energy: -1.604
local terms energy: -267.075901
where:
bonds (distance) C4'-P energy: -46.206
bonds (distance) P-C4' energy: -56.719
flat angles C4'-P-C4' energy: -47.513
flat angles P-C4'-P energy: -43.980
tors. eta vs tors. theta energy: -72.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -895.296703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.296703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.296703 (E_RNA)
where:
Base-Base interactions energy: -616.258
where: short stacking energy: -267.815
Base-Backbone interact. energy: -1.871
local terms energy: -277.168078
where:
bonds (distance) C4'-P energy: -52.691
bonds (distance) P-C4' energy: -51.018
flat angles C4'-P-C4' energy: -56.826
flat angles P-C4'-P energy: -37.854
tors. eta vs tors. theta energy: -78.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -885.080547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.080547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.080547 (E_RNA)
where:
Base-Base interactions energy: -609.351
where: short stacking energy: -253.493
Base-Backbone interact. energy: -0.708
local terms energy: -275.021590
where:
bonds (distance) C4'-P energy: -50.893
bonds (distance) P-C4' energy: -46.404
flat angles C4'-P-C4' energy: -57.649
flat angles P-C4'-P energy: -47.015
tors. eta vs tors. theta energy: -73.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -886.967100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.967100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.967100 (E_RNA)
where:
Base-Base interactions energy: -617.694
where: short stacking energy: -245.651
Base-Backbone interact. energy: 1.113
local terms energy: -270.386618
where:
bonds (distance) C4'-P energy: -54.141
bonds (distance) P-C4' energy: -46.752
flat angles C4'-P-C4' energy: -52.049
flat angles P-C4'-P energy: -40.184
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: 5, replica: 5
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -802.350410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.350410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.350410 (E_RNA)
where:
Base-Base interactions energy: -566.721
where: short stacking energy: -247.129
Base-Backbone interact. energy: -0.071
local terms energy: -235.557851
where:
bonds (distance) C4'-P energy: -43.470
bonds (distance) P-C4' energy: -42.448
flat angles C4'-P-C4' energy: -55.822
flat angles P-C4'-P energy: -32.776
tors. eta vs tors. theta energy: -61.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -740.519991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.519991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.519991 (E_RNA)
where:
Base-Base interactions energy: -511.336
where: short stacking energy: -209.237
Base-Backbone interact. energy: 0.275
local terms energy: -229.458818
where:
bonds (distance) C4'-P energy: -46.463
bonds (distance) P-C4' energy: -49.556
flat angles C4'-P-C4' energy: -45.371
flat angles P-C4'-P energy: -28.382
tors. eta vs tors. theta energy: -59.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -733.913764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.913764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.913764 (E_RNA)
where:
Base-Base interactions energy: -481.926
where: short stacking energy: -195.958
Base-Backbone interact. energy: -1.422
local terms energy: -250.565325
where:
bonds (distance) C4'-P energy: -48.512
bonds (distance) P-C4' energy: -49.208
flat angles C4'-P-C4' energy: -50.788
flat angles P-C4'-P energy: -42.785
tors. eta vs tors. theta energy: -59.272
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: 4
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -729.948939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.948939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.948939 (E_RNA)
where:
Base-Base interactions energy: -499.156
where: short stacking energy: -200.274
Base-Backbone interact. energy: 1.080
local terms energy: -231.872641
where:
bonds (distance) C4'-P energy: -38.881
bonds (distance) P-C4' energy: -46.716
flat angles C4'-P-C4' energy: -50.263
flat angles P-C4'-P energy: -32.645
tors. eta vs tors. theta energy: -63.367
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: 9, replica: 9
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -464.845748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.845748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.845748 (E_RNA)
where:
Base-Base interactions energy: -253.227
where: short stacking energy: -122.971
Base-Backbone interact. energy: -1.625
local terms energy: -209.994057
where:
bonds (distance) C4'-P energy: -59.103
bonds (distance) P-C4' energy: -44.844
flat angles C4'-P-C4' energy: -52.360
flat angles P-C4'-P energy: -32.207
tors. eta vs tors. theta energy: -21.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -229.537718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.537718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.537718 (E_RNA)
where:
Base-Base interactions energy: -65.266
where: short stacking energy: -61.193
Base-Backbone interact. energy: -0.631
local terms energy: -163.641138
where:
bonds (distance) C4'-P energy: -50.795
bonds (distance) P-C4' energy: -54.049
flat angles C4'-P-C4' energy: -43.849
flat angles P-C4'-P energy: -15.647
tors. eta vs tors. theta energy: 0.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -925.988556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.988556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.988556 (E_RNA)
where:
Base-Base interactions energy: -643.960
where: short stacking energy: -264.776
Base-Backbone interact. energy: -0.645
local terms energy: -281.383497
where:
bonds (distance) C4'-P energy: -52.838
bonds (distance) P-C4' energy: -56.265
flat angles C4'-P-C4' energy: -55.050
flat angles P-C4'-P energy: -42.411
tors. eta vs tors. theta energy: -74.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -926.585903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.585903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.585903 (E_RNA)
where:
Base-Base interactions energy: -626.304
where: short stacking energy: -270.414
Base-Backbone interact. energy: -2.260
local terms energy: -298.022241
where:
bonds (distance) C4'-P energy: -55.487
bonds (distance) P-C4' energy: -60.989
flat angles C4'-P-C4' energy: -61.706
flat angles P-C4'-P energy: -38.995
tors. eta vs tors. theta energy: -80.844
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: 3, replica: 3
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -902.555824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.555824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.555824 (E_RNA)
where:
Base-Base interactions energy: -615.324
where: short stacking energy: -251.247
Base-Backbone interact. energy: -0.492
local terms energy: -286.739273
where:
bonds (distance) C4'-P energy: -53.028
bonds (distance) P-C4' energy: -58.620
flat angles C4'-P-C4' energy: -56.099
flat angles P-C4'-P energy: -39.973
tors. eta vs tors. theta energy: -79.018
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: 8
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -864.392516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.392516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.392516 (E_RNA)
where:
Base-Base interactions energy: -592.836
where: short stacking energy: -243.835
Base-Backbone interact. energy: -1.446
local terms energy: -270.110599
where:
bonds (distance) C4'-P energy: -55.555
bonds (distance) P-C4' energy: -42.026
flat angles C4'-P-C4' energy: -59.902
flat angles P-C4'-P energy: -36.746
tors. eta vs tors. theta energy: -75.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -788.432042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.432042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.432042 (E_RNA)
where:
Base-Base interactions energy: -533.079
where: short stacking energy: -228.891
Base-Backbone interact. energy: 0.610
local terms energy: -255.962752
where:
bonds (distance) C4'-P energy: -48.810
bonds (distance) P-C4' energy: -48.957
flat angles C4'-P-C4' energy: -58.340
flat angles P-C4'-P energy: -37.297
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: 6, replica: 5
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -798.002532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.002532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.002532 (E_RNA)
where:
Base-Base interactions energy: -554.822
where: short stacking energy: -233.823
Base-Backbone interact. energy: -0.574
local terms energy: -242.606581
where:
bonds (distance) C4'-P energy: -40.080
bonds (distance) P-C4' energy: -40.932
flat angles C4'-P-C4' energy: -57.796
flat angles P-C4'-P energy: -38.846
tors. eta vs tors. theta energy: -64.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -697.866169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.866169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.866169 (E_RNA)
where:
Base-Base interactions energy: -487.894
where: short stacking energy: -184.929
Base-Backbone interact. energy: 0.295
local terms energy: -210.267428
where:
bonds (distance) C4'-P energy: -39.731
bonds (distance) P-C4' energy: -45.205
flat angles C4'-P-C4' energy: -44.553
flat angles P-C4'-P energy: -39.296
tors. eta vs tors. theta energy: -41.482
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: 7
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -696.877082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.877082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.877082 (E_RNA)
where:
Base-Base interactions energy: -467.585
where: short stacking energy: -189.857
Base-Backbone interact. energy: 1.111
local terms energy: -230.403890
where:
bonds (distance) C4'-P energy: -40.666
bonds (distance) P-C4' energy: -48.124
flat angles C4'-P-C4' energy: -53.866
flat angles P-C4'-P energy: -30.040
tors. eta vs tors. theta energy: -57.708
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: 210
Temperature: 1.300000
Total energy: -460.950226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.950226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.950226 (E_RNA)
where:
Base-Base interactions energy: -280.415
where: short stacking energy: -127.316
Base-Backbone interact. energy: -0.208
local terms energy: -180.327540
where:
bonds (distance) C4'-P energy: -47.569
bonds (distance) P-C4' energy: -40.956
flat angles C4'-P-C4' energy: -45.816
flat angles P-C4'-P energy: -16.835
tors. eta vs tors. theta energy: -29.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -255.387826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.387826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.387826 (E_RNA)
where:
Base-Base interactions energy: -102.450
where: short stacking energy: -72.001
Base-Backbone interact. energy: -1.089
local terms energy: -151.848837
where:
bonds (distance) C4'-P energy: -45.125
bonds (distance) P-C4' energy: -51.343
flat angles C4'-P-C4' energy: -36.819
flat angles P-C4'-P energy: -19.991
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: 2
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -944.703282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.703282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.703282 (E_RNA)
where:
Base-Base interactions energy: -656.208
where: short stacking energy: -271.503
Base-Backbone interact. energy: -0.733
local terms energy: -287.762606
where:
bonds (distance) C4'-P energy: -56.638
bonds (distance) P-C4' energy: -46.396
flat angles C4'-P-C4' energy: -63.173
flat angles P-C4'-P energy: -37.763
tors. eta vs tors. theta energy: -83.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -926.928510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.928510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.928510 (E_RNA)
where:
Base-Base interactions energy: -647.676
where: short stacking energy: -282.874
Base-Backbone interact. energy: -1.221
local terms energy: -278.031318
where:
bonds (distance) C4'-P energy: -45.269
bonds (distance) P-C4' energy: -56.881
flat angles C4'-P-C4' energy: -49.227
flat angles P-C4'-P energy: -42.940
tors. eta vs tors. theta energy: -83.715
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: 3
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -898.647381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.647381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.647381 (E_RNA)
where:
Base-Base interactions energy: -628.277
where: short stacking energy: -269.149
Base-Backbone interact. energy: -0.729
local terms energy: -269.641360
where:
bonds (distance) C4'-P energy: -52.437
bonds (distance) P-C4' energy: -42.606
flat angles C4'-P-C4' energy: -57.022
flat angles P-C4'-P energy: -35.540
tors. eta vs tors. theta energy: -82.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -838.365319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.365319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.365319 (E_RNA)
where:
Base-Base interactions energy: -584.306
where: short stacking energy: -247.689
Base-Backbone interact. energy: -0.584
local terms energy: -253.475938
where:
bonds (distance) C4'-P energy: -47.813
bonds (distance) P-C4' energy: -44.644
flat angles C4'-P-C4' energy: -58.208
flat angles P-C4'-P energy: -32.541
tors. eta vs tors. theta energy: -70.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -787.036851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.036851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.036851 (E_RNA)
where:
Base-Base interactions energy: -525.770
where: short stacking energy: -220.609
Base-Backbone interact. energy: -2.105
local terms energy: -259.161229
where:
bonds (distance) C4'-P energy: -54.245
bonds (distance) P-C4' energy: -51.720
flat angles C4'-P-C4' energy: -54.000
flat angles P-C4'-P energy: -29.264
tors. eta vs tors. theta energy: -69.931
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: 5
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -793.546663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.546663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.546663 (E_RNA)
where:
Base-Base interactions energy: -531.895
where: short stacking energy: -220.930
Base-Backbone interact. energy: -1.549
local terms energy: -260.102367
where:
bonds (distance) C4'-P energy: -49.131
bonds (distance) P-C4' energy: -48.356
flat angles C4'-P-C4' energy: -54.021
flat angles P-C4'-P energy: -40.461
tors. eta vs tors. theta energy: -68.133
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: 211
Temperature: 1.200000
Total energy: -729.093362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.093362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.093362 (E_RNA)
where:
Base-Base interactions energy: -497.179
where: short stacking energy: -194.688
Base-Backbone interact. energy: -0.203
local terms energy: -231.711363
where:
bonds (distance) C4'-P energy: -49.703
bonds (distance) P-C4' energy: -46.445
flat angles C4'-P-C4' energy: -55.658
flat angles P-C4'-P energy: -29.256
tors. eta vs tors. theta energy: -50.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -710.673268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.673268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.673268 (E_RNA)
where:
Base-Base interactions energy: -496.702
where: short stacking energy: -212.258
Base-Backbone interact. energy: -0.140
local terms energy: -213.830903
where:
bonds (distance) C4'-P energy: -48.265
bonds (distance) P-C4' energy: -41.294
flat angles C4'-P-C4' energy: -48.700
flat angles P-C4'-P energy: -24.048
tors. eta vs tors. theta energy: -51.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -513.197323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.197323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.197323 (E_RNA)
where:
Base-Base interactions energy: -326.616
where: short stacking energy: -156.316
Base-Backbone interact. energy: 0.497
local terms energy: -187.078398
where:
bonds (distance) C4'-P energy: -34.319
bonds (distance) P-C4' energy: -49.817
flat angles C4'-P-C4' energy: -41.082
flat angles P-C4'-P energy: -25.594
tors. eta vs tors. theta energy: -36.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -219.365788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.365788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.365788 (E_RNA)
where:
Base-Base interactions energy: -76.800
where: short stacking energy: -66.051
Base-Backbone interact. energy: 1.744
local terms energy: -144.309648
where:
bonds (distance) C4'-P energy: -39.789
bonds (distance) P-C4' energy: -39.569
flat angles C4'-P-C4' energy: -34.734
flat angles P-C4'-P energy: -21.997
tors. eta vs tors. theta energy: -8.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -954.664968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.664968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.664968 (E_RNA)
where:
Base-Base interactions energy: -658.227
where: short stacking energy: -282.350
Base-Backbone interact. energy: -1.440
local terms energy: -294.997522
where:
bonds (distance) C4'-P energy: -53.043
bonds (distance) P-C4' energy: -57.346
flat angles C4'-P-C4' energy: -61.799
flat angles P-C4'-P energy: -39.749
tors. eta vs tors. theta energy: -83.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -924.869273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.869273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.869273 (E_RNA)
where:
Base-Base interactions energy: -649.964
where: short stacking energy: -275.275
Base-Backbone interact. energy: -1.746
local terms energy: -273.159469
where:
bonds (distance) C4'-P energy: -45.807
bonds (distance) P-C4' energy: -52.860
flat angles C4'-P-C4' energy: -59.618
flat angles P-C4'-P energy: -37.944
tors. eta vs tors. theta energy: -76.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -866.752043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.752043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.752043 (E_RNA)
where:
Base-Base interactions energy: -604.606
where: short stacking energy: -251.074
Base-Backbone interact. energy: -0.942
local terms energy: -261.204479
where:
bonds (distance) C4'-P energy: -45.958
bonds (distance) P-C4' energy: -46.713
flat angles C4'-P-C4' energy: -56.509
flat angles P-C4'-P energy: -38.985
tors. eta vs tors. theta energy: -73.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -900.045233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.045233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.045233 (E_RNA)
where:
Base-Base interactions energy: -640.828
where: short stacking energy: -267.095
Base-Backbone interact. energy: -0.724
local terms energy: -258.493076
where:
bonds (distance) C4'-P energy: -46.249
bonds (distance) P-C4' energy: -47.015
flat angles C4'-P-C4' energy: -54.090
flat angles P-C4'-P energy: -37.418
tors. eta vs tors. theta energy: -73.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -806.923541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.923541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.923541 (E_RNA)
where:
Base-Base interactions energy: -545.357
where: short stacking energy: -224.993
Base-Backbone interact. energy: 0.699
local terms energy: -262.265572
where:
bonds (distance) C4'-P energy: -46.697
bonds (distance) P-C4' energy: -53.649
flat angles C4'-P-C4' energy: -58.438
flat angles P-C4'-P energy: -39.771
tors. eta vs tors. theta energy: -63.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -784.361274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.361274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.361274 (E_RNA)
where:
Base-Base interactions energy: -542.863
where: short stacking energy: -231.513
Base-Backbone interact. energy: -1.369
local terms energy: -240.129284
where:
bonds (distance) C4'-P energy: -48.917
bonds (distance) P-C4' energy: -44.558
flat angles C4'-P-C4' energy: -52.060
flat angles P-C4'-P energy: -35.013
tors. eta vs tors. theta energy: -59.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -722.678198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.678198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.678198 (E_RNA)
where:
Base-Base interactions energy: -494.577
where: short stacking energy: -206.363
Base-Backbone interact. energy: -2.387
local terms energy: -225.714984
where:
bonds (distance) C4'-P energy: -55.831
bonds (distance) P-C4' energy: -38.373
flat angles C4'-P-C4' energy: -41.309
flat angles P-C4'-P energy: -39.401
tors. eta vs tors. theta energy: -50.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -698.728077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.728077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.728077 (E_RNA)
where:
Base-Base interactions energy: -486.591
where: short stacking energy: -201.831
Base-Backbone interact. energy: -0.090
local terms energy: -212.046982
where:
bonds (distance) C4'-P energy: -41.578
bonds (distance) P-C4' energy: -42.640
flat angles C4'-P-C4' energy: -41.102
flat angles P-C4'-P energy: -29.621
tors. eta vs tors. theta energy: -57.105
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: 212
Temperature: 1.300000
Total energy: -465.194338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.194338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.194338 (E_RNA)
where:
Base-Base interactions energy: -285.180
where: short stacking energy: -123.996
Base-Backbone interact. energy: 2.267
local terms energy: -182.281137
where:
bonds (distance) C4'-P energy: -52.928
bonds (distance) P-C4' energy: -38.226
flat angles C4'-P-C4' energy: -35.734
flat angles P-C4'-P energy: -33.741
tors. eta vs tors. theta energy: -21.652
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: 6
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -216.464037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.464037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.464037 (E_RNA)
where:
Base-Base interactions energy: -72.414
where: short stacking energy: -61.381
Base-Backbone interact. energy: -0.550
local terms energy: -143.500300
where:
bonds (distance) C4'-P energy: -35.631
bonds (distance) P-C4' energy: -52.994
flat angles C4'-P-C4' energy: -28.627
flat angles P-C4'-P energy: -26.216
tors. eta vs tors. theta energy: -0.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -953.261593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.261593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.261593 (E_RNA)
where:
Base-Base interactions energy: -658.480
where: short stacking energy: -283.861
Base-Backbone interact. energy: -0.957
local terms energy: -293.824348
where:
bonds (distance) C4'-P energy: -53.014
bonds (distance) P-C4' energy: -56.216
flat angles C4'-P-C4' energy: -58.384
flat angles P-C4'-P energy: -40.862
tors. eta vs tors. theta energy: -85.349
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: 8
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -889.394781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.394781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.394781 (E_RNA)
where:
Base-Base interactions energy: -607.378
where: short stacking energy: -239.895
Base-Backbone interact. energy: -0.375
local terms energy: -281.641495
where:
bonds (distance) C4'-P energy: -56.099
bonds (distance) P-C4' energy: -59.901
flat angles C4'-P-C4' energy: -57.771
flat angles P-C4'-P energy: -37.393
tors. eta vs tors. theta energy: -70.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -899.034196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.034196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.034196 (E_RNA)
where:
Base-Base interactions energy: -627.596
where: short stacking energy: -270.354
Base-Backbone interact. energy: 2.656
local terms energy: -274.094446
where:
bonds (distance) C4'-P energy: -44.312
bonds (distance) P-C4' energy: -52.589
flat angles C4'-P-C4' energy: -60.216
flat angles P-C4'-P energy: -37.128
tors. eta vs tors. theta energy: -79.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -864.043161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.043161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.043161 (E_RNA)
where:
Base-Base interactions energy: -613.073
where: short stacking energy: -255.190
Base-Backbone interact. energy: 0.858
local terms energy: -251.828156
where:
bonds (distance) C4'-P energy: -47.797
bonds (distance) P-C4' energy: -49.776
flat angles C4'-P-C4' energy: -53.907
flat angles P-C4'-P energy: -26.798
tors. eta vs tors. theta energy: -73.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -828.408492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.408492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.408492 (E_RNA)
where:
Base-Base interactions energy: -578.517
where: short stacking energy: -250.723
Base-Backbone interact. energy: -0.340
local terms energy: -249.551714
where:
bonds (distance) C4'-P energy: -43.897
bonds (distance) P-C4' energy: -51.107
flat angles C4'-P-C4' energy: -54.566
flat angles P-C4'-P energy: -31.349
tors. eta vs tors. theta energy: -68.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -746.294524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.294524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.294524 (E_RNA)
where:
Base-Base interactions energy: -511.088
where: short stacking energy: -217.215
Base-Backbone interact. energy: -0.913
local terms energy: -234.292927
where:
bonds (distance) C4'-P energy: -46.918
bonds (distance) P-C4' energy: -49.767
flat angles C4'-P-C4' energy: -53.430
flat angles P-C4'-P energy: -24.268
tors. eta vs tors. theta energy: -59.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -722.475716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.475716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.475716 (E_RNA)
where:
Base-Base interactions energy: -492.853
where: short stacking energy: -188.923
Base-Backbone interact. energy: 1.355
local terms energy: -230.978351
where:
bonds (distance) C4'-P energy: -40.762
bonds (distance) P-C4' energy: -47.572
flat angles C4'-P-C4' energy: -54.568
flat angles P-C4'-P energy: -39.329
tors. eta vs tors. theta energy: -48.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -748.077708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.077708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.077708 (E_RNA)
where:
Base-Base interactions energy: -510.904
where: short stacking energy: -217.850
Base-Backbone interact. energy: 0.659
local terms energy: -237.832940
where:
bonds (distance) C4'-P energy: -48.013
bonds (distance) P-C4' energy: -37.746
flat angles C4'-P-C4' energy: -52.397
flat angles P-C4'-P energy: -36.213
tors. eta vs tors. theta energy: -63.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -503.637993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.637993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.637993 (E_RNA)
where:
Base-Base interactions energy: -314.780
where: short stacking energy: -148.443
Base-Backbone interact. energy: 1.057
local terms energy: -189.914734
where:
bonds (distance) C4'-P energy: -40.204
bonds (distance) P-C4' energy: -31.922
flat angles C4'-P-C4' energy: -47.138
flat angles P-C4'-P energy: -36.023
tors. eta vs tors. theta energy: -34.627
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: 6
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -218.118837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.118837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.118837 (E_RNA)
where:
Base-Base interactions energy: -83.017
where: short stacking energy: -54.234
Base-Backbone interact. energy: 0.285
local terms energy: -135.387261
where:
bonds (distance) C4'-P energy: -44.294
bonds (distance) P-C4' energy: -43.241
flat angles C4'-P-C4' energy: -33.363
flat angles P-C4'-P energy: -20.058
tors. eta vs tors. theta energy: 5.569
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: 8
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -925.549773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.549773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.549773 (E_RNA)
where:
Base-Base interactions energy: -638.511
where: short stacking energy: -271.788
Base-Backbone interact. energy: -1.884
local terms energy: -285.154712
where:
bonds (distance) C4'-P energy: -51.550
bonds (distance) P-C4' energy: -52.913
flat angles C4'-P-C4' energy: -57.604
flat angles P-C4'-P energy: -41.981
tors. eta vs tors. theta energy: -81.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -929.765003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.765003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.765003 (E_RNA)
where:
Base-Base interactions energy: -640.000
where: short stacking energy: -271.609
Base-Backbone interact. energy: -1.694
local terms energy: -288.071331
where:
bonds (distance) C4'-P energy: -53.179
bonds (distance) P-C4' energy: -55.357
flat angles C4'-P-C4' energy: -56.182
flat angles P-C4'-P energy: -44.113
tors. eta vs tors. theta energy: -79.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -889.149220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.149220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.149220 (E_RNA)
where:
Base-Base interactions energy: -624.595
where: short stacking energy: -271.151
Base-Backbone interact. energy: -1.145
local terms energy: -263.409650
where:
bonds (distance) C4'-P energy: -42.308
bonds (distance) P-C4' energy: -46.737
flat angles C4'-P-C4' energy: -56.818
flat angles P-C4'-P energy: -41.103
tors. eta vs tors. theta energy: -76.443
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: 214
Temperature: 1.050000
Total energy: -849.645218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.645218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.645218 (E_RNA)
where:
Base-Base interactions energy: -593.893
where: short stacking energy: -232.788
Base-Backbone interact. energy: -1.635
local terms energy: -254.117047
where:
bonds (distance) C4'-P energy: -44.127
bonds (distance) P-C4' energy: -43.769
flat angles C4'-P-C4' energy: -51.038
flat angles P-C4'-P energy: -42.148
tors. eta vs tors. theta energy: -73.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -819.129471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.129471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.129471 (E_RNA)
where:
Base-Base interactions energy: -576.084
where: short stacking energy: -228.836
Base-Backbone interact. energy: 1.471
local terms energy: -244.515984
where:
bonds (distance) C4'-P energy: -42.102
bonds (distance) P-C4' energy: -47.628
flat angles C4'-P-C4' energy: -53.169
flat angles P-C4'-P energy: -33.813
tors. eta vs tors. theta energy: -67.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -755.383544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.383544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.383544 (E_RNA)
where:
Base-Base interactions energy: -513.012
where: short stacking energy: -204.284
Base-Backbone interact. energy: 1.335
local terms energy: -243.706252
where:
bonds (distance) C4'-P energy: -52.991
bonds (distance) P-C4' energy: -40.963
flat angles C4'-P-C4' energy: -58.757
flat angles P-C4'-P energy: -32.284
tors. eta vs tors. theta energy: -58.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -737.178398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.178398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.178398 (E_RNA)
where:
Base-Base interactions energy: -509.427
where: short stacking energy: -195.349
Base-Backbone interact. energy: 3.745
local terms energy: -231.496368
where:
bonds (distance) C4'-P energy: -46.752
bonds (distance) P-C4' energy: -51.606
flat angles C4'-P-C4' energy: -46.418
flat angles P-C4'-P energy: -32.358
tors. eta vs tors. theta energy: -54.362
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: 4
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -714.758926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.758926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.758926 (E_RNA)
where:
Base-Base interactions energy: -473.031
where: short stacking energy: -201.269
Base-Backbone interact. energy: -0.528
local terms energy: -241.200118
where:
bonds (distance) C4'-P energy: -50.239
bonds (distance) P-C4' energy: -47.605
flat angles C4'-P-C4' energy: -53.732
flat angles P-C4'-P energy: -38.179
tors. eta vs tors. theta energy: -51.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -467.330645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.330645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.330645 (E_RNA)
where:
Base-Base interactions energy: -307.619
where: short stacking energy: -150.304
Base-Backbone interact. energy: 0.869
local terms energy: -160.580668
where:
bonds (distance) C4'-P energy: -39.632
bonds (distance) P-C4' energy: -40.984
flat angles C4'-P-C4' energy: -35.245
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -34.833
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: 6
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -235.570185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.570185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.570185 (E_RNA)
where:
Base-Base interactions energy: -67.777
where: short stacking energy: -62.092
Base-Backbone interact. energy: 0.473
local terms energy: -168.266418
where:
bonds (distance) C4'-P energy: -52.060
bonds (distance) P-C4' energy: -36.695
flat angles C4'-P-C4' energy: -42.704
flat angles P-C4'-P energy: -33.946
tors. eta vs tors. theta energy: -2.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -931.910414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.910414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.910414 (E_RNA)
where:
Base-Base interactions energy: -641.827
where: short stacking energy: -254.662
Base-Backbone interact. energy: -1.305
local terms energy: -288.778529
where:
bonds (distance) C4'-P energy: -49.120
bonds (distance) P-C4' energy: -58.298
flat angles C4'-P-C4' energy: -60.362
flat angles P-C4'-P energy: -44.533
tors. eta vs tors. theta energy: -76.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -932.790271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.790271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.790271 (E_RNA)
where:
Base-Base interactions energy: -653.185
where: short stacking energy: -290.471
Base-Backbone interact. energy: -0.799
local terms energy: -278.806748
where:
bonds (distance) C4'-P energy: -39.176
bonds (distance) P-C4' energy: -54.297
flat angles C4'-P-C4' energy: -58.923
flat angles P-C4'-P energy: -43.835
tors. eta vs tors. theta energy: -82.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -885.619066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.619066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.619066 (E_RNA)
where:
Base-Base interactions energy: -619.461
where: short stacking energy: -265.574
Base-Backbone interact. energy: 0.025
local terms energy: -266.182682
where:
bonds (distance) C4'-P energy: -46.742
bonds (distance) P-C4' energy: -43.383
flat angles C4'-P-C4' energy: -58.903
flat angles P-C4'-P energy: -38.032
tors. eta vs tors. theta energy: -79.122
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: 3
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -847.863235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.863235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.863235 (E_RNA)
where:
Base-Base interactions energy: -586.264
where: short stacking energy: -235.403
Base-Backbone interact. energy: -0.723
local terms energy: -260.875978
where:
bonds (distance) C4'-P energy: -51.366
bonds (distance) P-C4' energy: -56.285
flat angles C4'-P-C4' energy: -52.769
flat angles P-C4'-P energy: -35.737
tors. eta vs tors. theta energy: -64.718
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: 215
Temperature: 1.100000
Total energy: -797.384251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.384251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.384251 (E_RNA)
where:
Base-Base interactions energy: -546.803
where: short stacking energy: -214.994
Base-Backbone interact. energy: -0.290
local terms energy: -250.291831
where:
bonds (distance) C4'-P energy: -49.777
bonds (distance) P-C4' energy: -48.695
flat angles C4'-P-C4' energy: -57.716
flat angles P-C4'-P energy: -32.392
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: 6, replica: 7
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -783.087218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.087218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.087218 (E_RNA)
where:
Base-Base interactions energy: -531.324
where: short stacking energy: -216.072
Base-Backbone interact. energy: 0.094
local terms energy: -251.857182
where:
bonds (distance) C4'-P energy: -57.945
bonds (distance) P-C4' energy: -41.056
flat angles C4'-P-C4' energy: -56.905
flat angles P-C4'-P energy: -37.316
tors. eta vs tors. theta energy: -58.635
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: 7, replica: 10
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -722.582217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.582217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.582217 (E_RNA)
where:
Base-Base interactions energy: -502.214
where: short stacking energy: -218.398
Base-Backbone interact. energy: -0.755
local terms energy: -219.613446
where:
bonds (distance) C4'-P energy: -46.870
bonds (distance) P-C4' energy: -34.548
flat angles C4'-P-C4' energy: -55.474
flat angles P-C4'-P energy: -33.165
tors. eta vs tors. theta energy: -49.556
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: 215
Temperature: 1.250000
Total energy: -717.079090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.079090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.079090 (E_RNA)
where:
Base-Base interactions energy: -472.971
where: short stacking energy: -188.738
Base-Backbone interact. energy: -0.877
local terms energy: -243.230524
where:
bonds (distance) C4'-P energy: -42.450
bonds (distance) P-C4' energy: -51.743
flat angles C4'-P-C4' energy: -56.347
flat angles P-C4'-P energy: -34.646
tors. eta vs tors. theta energy: -58.046
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: 215
Temperature: 1.300000
Total energy: -488.378816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.378816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.378816 (E_RNA)
where:
Base-Base interactions energy: -314.345
where: short stacking energy: -147.174
Base-Backbone interact. energy: -1.534
local terms energy: -172.499886
where:
bonds (distance) C4'-P energy: -42.200
bonds (distance) P-C4' energy: -30.679
flat angles C4'-P-C4' energy: -44.090
flat angles P-C4'-P energy: -23.904
tors. eta vs tors. theta energy: -31.627
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: 6
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -220.805816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.805816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.805816 (E_RNA)
where:
Base-Base interactions energy: -86.119
where: short stacking energy: -72.598
Base-Backbone interact. energy: 2.844
local terms energy: -137.530842
where:
bonds (distance) C4'-P energy: -41.135
bonds (distance) P-C4' energy: -49.280
flat angles C4'-P-C4' energy: -30.590
flat angles P-C4'-P energy: -19.976
tors. eta vs tors. theta energy: 3.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -944.741983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.741983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.741983 (E_RNA)
where:
Base-Base interactions energy: -653.933
where: short stacking energy: -276.320
Base-Backbone interact. energy: -0.420
local terms energy: -290.388299
where:
bonds (distance) C4'-P energy: -51.499
bonds (distance) P-C4' energy: -56.177
flat angles C4'-P-C4' energy: -58.193
flat angles P-C4'-P energy: -45.692
tors. eta vs tors. theta energy: -78.827
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: 8
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -899.752824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.752824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.752824 (E_RNA)
where:
Base-Base interactions energy: -604.930
where: short stacking energy: -260.285
Base-Backbone interact. energy: 0.105
local terms energy: -294.927940
where:
bonds (distance) C4'-P energy: -56.382
bonds (distance) P-C4' energy: -53.729
flat angles C4'-P-C4' energy: -66.580
flat angles P-C4'-P energy: -35.531
tors. eta vs tors. theta energy: -82.706
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: 1
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -898.535214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.535214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.535214 (E_RNA)
where:
Base-Base interactions energy: -621.457
where: short stacking energy: -268.838
Base-Backbone interact. energy: 3.392
local terms energy: -280.470019
where:
bonds (distance) C4'-P energy: -51.364
bonds (distance) P-C4' energy: -46.559
flat angles C4'-P-C4' energy: -56.856
flat angles P-C4'-P energy: -45.695
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: 4, replica: 3
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -855.097608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.097608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.097608 (E_RNA)
where:
Base-Base interactions energy: -608.100
where: short stacking energy: -246.994
Base-Backbone interact. energy: -0.610
local terms energy: -246.387730
where:
bonds (distance) C4'-P energy: -49.880
bonds (distance) P-C4' energy: -44.273
flat angles C4'-P-C4' energy: -56.140
flat angles P-C4'-P energy: -29.566
tors. eta vs tors. theta energy: -66.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -789.172019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.172019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.172019 (E_RNA)
where:
Base-Base interactions energy: -540.571
where: short stacking energy: -243.259
Base-Backbone interact. energy: 2.224
local terms energy: -250.824572
where:
bonds (distance) C4'-P energy: -54.275
bonds (distance) P-C4' energy: -53.625
flat angles C4'-P-C4' energy: -48.037
flat angles P-C4'-P energy: -25.464
tors. eta vs tors. theta energy: -69.423
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: 216
Temperature: 1.150000
Total energy: -768.341332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.341332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.341332 (E_RNA)
where:
Base-Base interactions energy: -514.987
where: short stacking energy: -217.873
Base-Backbone interact. energy: 1.863
local terms energy: -255.216945
where:
bonds (distance) C4'-P energy: -46.146
bonds (distance) P-C4' energy: -55.153
flat angles C4'-P-C4' energy: -59.175
flat angles P-C4'-P energy: -40.535
tors. eta vs tors. theta energy: -54.208
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: 4
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -715.676797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.676797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.676797 (E_RNA)
where:
Base-Base interactions energy: -477.814
where: short stacking energy: -203.700
Base-Backbone interact. energy: -1.256
local terms energy: -236.606181
where:
bonds (distance) C4'-P energy: -51.769
bonds (distance) P-C4' energy: -52.840
flat angles C4'-P-C4' energy: -44.859
flat angles P-C4'-P energy: -32.094
tors. eta vs tors. theta energy: -55.045
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: 10
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -682.686756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.686756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.686756 (E_RNA)
where:
Base-Base interactions energy: -462.965
where: short stacking energy: -204.368
Base-Backbone interact. energy: -0.126
local terms energy: -219.595742
where:
bonds (distance) C4'-P energy: -35.241
bonds (distance) P-C4' energy: -46.701
flat angles C4'-P-C4' energy: -44.423
flat angles P-C4'-P energy: -32.343
tors. eta vs tors. theta energy: -60.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -479.973448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.973448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.973448 (E_RNA)
where:
Base-Base interactions energy: -286.443
where: short stacking energy: -141.826
Base-Backbone interact. energy: -0.380
local terms energy: -193.150248
where:
bonds (distance) C4'-P energy: -38.907
bonds (distance) P-C4' energy: -48.904
flat angles C4'-P-C4' energy: -45.557
flat angles P-C4'-P energy: -34.712
tors. eta vs tors. theta energy: -25.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -231.943793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.943793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.943793 (E_RNA)
where:
Base-Base interactions energy: -98.718
where: short stacking energy: -77.402
Base-Backbone interact. energy: 0.852
local terms energy: -134.078256
where:
bonds (distance) C4'-P energy: -36.859
bonds (distance) P-C4' energy: -39.050
flat angles C4'-P-C4' energy: -40.003
flat angles P-C4'-P energy: -21.519
tors. eta vs tors. theta energy: 3.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -949.619804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.619804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.619804 (E_RNA)
where:
Base-Base interactions energy: -654.256
where: short stacking energy: -279.259
Base-Backbone interact. energy: -0.511
local terms energy: -294.853052
where:
bonds (distance) C4'-P energy: -49.044
bonds (distance) P-C4' energy: -60.040
flat angles C4'-P-C4' energy: -57.465
flat angles P-C4'-P energy: -40.756
tors. eta vs tors. theta energy: -87.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -921.698809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.698809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.698809 (E_RNA)
where:
Base-Base interactions energy: -640.565
where: short stacking energy: -271.867
Base-Backbone interact. energy: -0.786
local terms energy: -280.347080
where:
bonds (distance) C4'-P energy: -49.984
bonds (distance) P-C4' energy: -41.014
flat angles C4'-P-C4' energy: -57.083
flat angles P-C4'-P energy: -47.608
tors. eta vs tors. theta energy: -84.657
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: 8
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -885.921926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.921926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.921926 (E_RNA)
where:
Base-Base interactions energy: -606.873
where: short stacking energy: -251.818
Base-Backbone interact. energy: -0.705
local terms energy: -278.344410
where:
bonds (distance) C4'-P energy: -49.123
bonds (distance) P-C4' energy: -59.612
flat angles C4'-P-C4' energy: -61.798
flat angles P-C4'-P energy: -34.282
tors. eta vs tors. theta energy: -73.529
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: 3
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -872.139030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.139030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.139030 (E_RNA)
where:
Base-Base interactions energy: -606.589
where: short stacking energy: -257.084
Base-Backbone interact. energy: -1.271
local terms energy: -264.278989
where:
bonds (distance) C4'-P energy: -51.180
bonds (distance) P-C4' energy: -49.678
flat angles C4'-P-C4' energy: -55.506
flat angles P-C4'-P energy: -37.064
tors. eta vs tors. theta energy: -70.852
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: 5
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -824.331036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.331036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.331036 (E_RNA)
where:
Base-Base interactions energy: -567.707
where: short stacking energy: -254.089
Base-Backbone interact. energy: -0.060
local terms energy: -256.563993
where:
bonds (distance) C4'-P energy: -43.559
bonds (distance) P-C4' energy: -47.863
flat angles C4'-P-C4' energy: -57.467
flat angles P-C4'-P energy: -31.882
tors. eta vs tors. theta energy: -75.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -746.822413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.822413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.822413 (E_RNA)
where:
Base-Base interactions energy: -515.930
where: short stacking energy: -222.893
Base-Backbone interact. energy: 1.376
local terms energy: -232.269270
where:
bonds (distance) C4'-P energy: -44.438
bonds (distance) P-C4' energy: -29.086
flat angles C4'-P-C4' energy: -55.150
flat angles P-C4'-P energy: -37.760
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: 7, replica: 4
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -748.937409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.937409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.937409 (E_RNA)
where:
Base-Base interactions energy: -517.106
where: short stacking energy: -212.313
Base-Backbone interact. energy: -0.909
local terms energy: -230.922306
where:
bonds (distance) C4'-P energy: -50.091
bonds (distance) P-C4' energy: -50.280
flat angles C4'-P-C4' energy: -46.803
flat angles P-C4'-P energy: -28.939
tors. eta vs tors. theta energy: -54.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -695.316292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.316292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.316292 (E_RNA)
where:
Base-Base interactions energy: -488.656
where: short stacking energy: -198.413
Base-Backbone interact. energy: -0.845
local terms energy: -205.814752
where:
bonds (distance) C4'-P energy: -47.004
bonds (distance) P-C4' energy: -36.783
flat angles C4'-P-C4' energy: -48.657
flat angles P-C4'-P energy: -28.726
tors. eta vs tors. theta energy: -44.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -488.516130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.516130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.516130 (E_RNA)
where:
Base-Base interactions energy: -302.415
where: short stacking energy: -131.452
Base-Backbone interact. energy: 4.923
local terms energy: -191.024091
where:
bonds (distance) C4'-P energy: -47.360
bonds (distance) P-C4' energy: -48.853
flat angles C4'-P-C4' energy: -46.494
flat angles P-C4'-P energy: -30.744
tors. eta vs tors. theta energy: -17.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -218.774029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.774029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.774029 (E_RNA)
where:
Base-Base interactions energy: -82.196
where: short stacking energy: -81.759
Base-Backbone interact. energy: -1.717
local terms energy: -134.860852
where:
bonds (distance) C4'-P energy: -44.499
bonds (distance) P-C4' energy: -35.020
flat angles C4'-P-C4' energy: -31.904
flat angles P-C4'-P energy: -18.139
tors. eta vs tors. theta energy: -5.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -943.556412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.556412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.556412 (E_RNA)
where:
Base-Base interactions energy: -665.403
where: short stacking energy: -288.222
Base-Backbone interact. energy: -0.107
local terms energy: -278.046693
where:
bonds (distance) C4'-P energy: -45.387
bonds (distance) P-C4' energy: -54.304
flat angles C4'-P-C4' energy: -52.796
flat angles P-C4'-P energy: -42.800
tors. eta vs tors. theta energy: -82.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -924.265568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.265568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.265568 (E_RNA)
where:
Base-Base interactions energy: -641.495
where: short stacking energy: -259.245
Base-Backbone interact. energy: -2.215
local terms energy: -280.555970
where:
bonds (distance) C4'-P energy: -53.039
bonds (distance) P-C4' energy: -57.690
flat angles C4'-P-C4' energy: -56.244
flat angles P-C4'-P energy: -39.028
tors. eta vs tors. theta energy: -74.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -860.607914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.607914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.607914 (E_RNA)
where:
Base-Base interactions energy: -607.632
where: short stacking energy: -252.532
Base-Backbone interact. energy: -1.172
local terms energy: -251.803935
where:
bonds (distance) C4'-P energy: -50.606
bonds (distance) P-C4' energy: -48.215
flat angles C4'-P-C4' energy: -54.857
flat angles P-C4'-P energy: -33.288
tors. eta vs tors. theta energy: -64.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -890.859258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.859258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.859258 (E_RNA)
where:
Base-Base interactions energy: -615.083
where: short stacking energy: -265.888
Base-Backbone interact. energy: -0.885
local terms energy: -274.891523
where:
bonds (distance) C4'-P energy: -43.263
bonds (distance) P-C4' energy: -54.975
flat angles C4'-P-C4' energy: -55.618
flat angles P-C4'-P energy: -42.005
tors. eta vs tors. theta energy: -79.029
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: 5
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -819.253946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.253946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.253946 (E_RNA)
where:
Base-Base interactions energy: -558.691
where: short stacking energy: -225.016
Base-Backbone interact. energy: -1.006
local terms energy: -259.556970
where:
bonds (distance) C4'-P energy: -44.791
bonds (distance) P-C4' energy: -55.732
flat angles C4'-P-C4' energy: -47.608
flat angles P-C4'-P energy: -42.368
tors. eta vs tors. theta energy: -69.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -748.409073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.409073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.409073 (E_RNA)
where:
Base-Base interactions energy: -502.269
where: short stacking energy: -216.178
Base-Backbone interact. energy: -0.018
local terms energy: -246.121564
where:
bonds (distance) C4'-P energy: -50.374
bonds (distance) P-C4' energy: -41.746
flat angles C4'-P-C4' energy: -52.510
flat angles P-C4'-P energy: -34.175
tors. eta vs tors. theta energy: -67.317
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: 4
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -747.818386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.818386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.818386 (E_RNA)
where:
Base-Base interactions energy: -507.153
where: short stacking energy: -223.617
Base-Backbone interact. energy: -0.898
local terms energy: -239.767779
where:
bonds (distance) C4'-P energy: -43.694
bonds (distance) P-C4' energy: -39.972
flat angles C4'-P-C4' energy: -55.830
flat angles P-C4'-P energy: -37.054
tors. eta vs tors. theta energy: -63.218
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: 8, replica: 10
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -742.774125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.774125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.774125 (E_RNA)
where:
Base-Base interactions energy: -513.573
where: short stacking energy: -217.027
Base-Backbone interact. energy: 0.328
local terms energy: -229.529843
where:
bonds (distance) C4'-P energy: -53.669
bonds (distance) P-C4' energy: -40.506
flat angles C4'-P-C4' energy: -51.937
flat angles P-C4'-P energy: -29.251
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: 9, replica: 9
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -513.428052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.428052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.428052 (E_RNA)
where:
Base-Base interactions energy: -312.469
where: short stacking energy: -124.253
Base-Backbone interact. energy: 1.050
local terms energy: -202.008553
where:
bonds (distance) C4'-P energy: -45.253
bonds (distance) P-C4' energy: -49.260
flat angles C4'-P-C4' energy: -56.170
flat angles P-C4'-P energy: -27.700
tors. eta vs tors. theta energy: -23.626
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: 6
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -221.398133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.398133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.398133 (E_RNA)
where:
Base-Base interactions energy: -89.899
where: short stacking energy: -64.537
Base-Backbone interact. energy: -1.021
local terms energy: -130.478450
where:
bonds (distance) C4'-P energy: -35.800
bonds (distance) P-C4' energy: -50.025
flat angles C4'-P-C4' energy: -38.668
flat angles P-C4'-P energy: -13.789
tors. eta vs tors. theta energy: 7.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -962.321140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.321140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.321140 (E_RNA)
where:
Base-Base interactions energy: -659.111
where: short stacking energy: -295.598
Base-Backbone interact. energy: -1.179
local terms energy: -302.030941
where:
bonds (distance) C4'-P energy: -57.738
bonds (distance) P-C4' energy: -51.800
flat angles C4'-P-C4' energy: -62.706
flat angles P-C4'-P energy: -37.562
tors. eta vs tors. theta energy: -92.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -927.617247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.617247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.617247 (E_RNA)
where:
Base-Base interactions energy: -648.950
where: short stacking energy: -273.059
Base-Backbone interact. energy: -1.607
local terms energy: -277.059860
where:
bonds (distance) C4'-P energy: -48.003
bonds (distance) P-C4' energy: -52.929
flat angles C4'-P-C4' energy: -56.883
flat angles P-C4'-P energy: -41.897
tors. eta vs tors. theta energy: -77.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -869.058713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.058713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.058713 (E_RNA)
where:
Base-Base interactions energy: -594.477
where: short stacking energy: -239.953
Base-Backbone interact. energy: -1.440
local terms energy: -273.142313
where:
bonds (distance) C4'-P energy: -52.869
bonds (distance) P-C4' energy: -51.766
flat angles C4'-P-C4' energy: -51.042
flat angles P-C4'-P energy: -41.151
tors. eta vs tors. theta energy: -76.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -886.267325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.267325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.267325 (E_RNA)
where:
Base-Base interactions energy: -614.436
where: short stacking energy: -260.527
Base-Backbone interact. energy: -1.891
local terms energy: -269.940215
where:
bonds (distance) C4'-P energy: -43.295
bonds (distance) P-C4' energy: -54.272
flat angles C4'-P-C4' energy: -56.096
flat angles P-C4'-P energy: -37.091
tors. eta vs tors. theta energy: -79.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -794.344110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.344110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.344110 (E_RNA)
where:
Base-Base interactions energy: -552.519
where: short stacking energy: -235.367
Base-Backbone interact. energy: -1.616
local terms energy: -240.209271
where:
bonds (distance) C4'-P energy: -35.794
bonds (distance) P-C4' energy: -47.504
flat angles C4'-P-C4' energy: -48.873
flat angles P-C4'-P energy: -35.659
tors. eta vs tors. theta energy: -72.380
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: 219
Temperature: 1.150000
Total energy: -767.208361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.208361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.208361 (E_RNA)
where:
Base-Base interactions energy: -516.987
where: short stacking energy: -226.279
Base-Backbone interact. energy: -0.770
local terms energy: -249.450813
where:
bonds (distance) C4'-P energy: -51.696
bonds (distance) P-C4' energy: -52.544
flat angles C4'-P-C4' energy: -51.070
flat angles P-C4'-P energy: -33.741
tors. eta vs tors. theta energy: -60.399
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: 219
Temperature: 1.200000
Total energy: -714.685444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.685444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.685444 (E_RNA)
where:
Base-Base interactions energy: -488.264
where: short stacking energy: -212.802
Base-Backbone interact. energy: -2.497
local terms energy: -223.923809
where:
bonds (distance) C4'-P energy: -37.696
bonds (distance) P-C4' energy: -43.463
flat angles C4'-P-C4' energy: -46.433
flat angles P-C4'-P energy: -38.431
tors. eta vs tors. theta energy: -57.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -696.456203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.456203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.456203 (E_RNA)
where:
Base-Base interactions energy: -474.242
where: short stacking energy: -195.123
Base-Backbone interact. energy: -0.773
local terms energy: -221.440948
where:
bonds (distance) C4'-P energy: -45.734
bonds (distance) P-C4' energy: -37.338
flat angles C4'-P-C4' energy: -57.666
flat angles P-C4'-P energy: -38.946
tors. eta vs tors. theta energy: -41.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -509.548997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.548997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.548997 (E_RNA)
where:
Base-Base interactions energy: -319.934
where: short stacking energy: -145.199
Base-Backbone interact. energy: 0.298
local terms energy: -189.913398
where:
bonds (distance) C4'-P energy: -38.997
bonds (distance) P-C4' energy: -36.362
flat angles C4'-P-C4' energy: -45.284
flat angles P-C4'-P energy: -40.647
tors. eta vs tors. theta energy: -28.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -239.918481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.918481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.918481 (E_RNA)
where:
Base-Base interactions energy: -103.576
where: short stacking energy: -67.871
Base-Backbone interact. energy: -1.206
local terms energy: -135.136473
where:
bonds (distance) C4'-P energy: -46.131
bonds (distance) P-C4' energy: -37.727
flat angles C4'-P-C4' energy: -34.343
flat angles P-C4'-P energy: -14.782
tors. eta vs tors. theta energy: -2.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -974.095920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.095920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.095920 (E_RNA)
where:
Base-Base interactions energy: -672.253
where: short stacking energy: -290.498
Base-Backbone interact. energy: -0.258
local terms energy: -301.584224
where:
bonds (distance) C4'-P energy: -48.345
bonds (distance) P-C4' energy: -57.815
flat angles C4'-P-C4' energy: -58.786
flat angles P-C4'-P energy: -47.744
tors. eta vs tors. theta energy: -88.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -927.250880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.250880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.250880 (E_RNA)
where:
Base-Base interactions energy: -644.622
where: short stacking energy: -263.116
Base-Backbone interact. energy: -0.113
local terms energy: -282.516571
where:
bonds (distance) C4'-P energy: -52.722
bonds (distance) P-C4' energy: -56.036
flat angles C4'-P-C4' energy: -53.950
flat angles P-C4'-P energy: -42.612
tors. eta vs tors. theta energy: -77.196
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: 3
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -873.886288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.886288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.886288 (E_RNA)
where:
Base-Base interactions energy: -606.847
where: short stacking energy: -251.588
Base-Backbone interact. energy: -1.751
local terms energy: -265.288326
where:
bonds (distance) C4'-P energy: -46.265
bonds (distance) P-C4' energy: -54.111
flat angles C4'-P-C4' energy: -58.008
flat angles P-C4'-P energy: -33.442
tors. eta vs tors. theta energy: -73.462
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: 4, replica: 8
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -860.133986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.133986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.133986 (E_RNA)
where:
Base-Base interactions energy: -598.159
where: short stacking energy: -240.696
Base-Backbone interact. energy: 0.511
local terms energy: -262.486046
where:
bonds (distance) C4'-P energy: -47.024
bonds (distance) P-C4' energy: -51.678
flat angles C4'-P-C4' energy: -51.665
flat angles P-C4'-P energy: -40.443
tors. eta vs tors. theta energy: -71.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -829.094630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.094630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.094630 (E_RNA)
where:
Base-Base interactions energy: -577.153
where: short stacking energy: -244.440
Base-Backbone interact. energy: 2.153
local terms energy: -254.095146
where:
bonds (distance) C4'-P energy: -50.407
bonds (distance) P-C4' energy: -55.096
flat angles C4'-P-C4' energy: -42.667
flat angles P-C4'-P energy: -35.202
tors. eta vs tors. theta energy: -70.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -756.110937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.110937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.110937 (E_RNA)
where:
Base-Base interactions energy: -512.367
where: short stacking energy: -227.784
Base-Backbone interact. energy: -1.532
local terms energy: -242.211608
where:
bonds (distance) C4'-P energy: -40.587
bonds (distance) P-C4' energy: -59.001
flat angles C4'-P-C4' energy: -51.525
flat angles P-C4'-P energy: -31.778
tors. eta vs tors. theta energy: -59.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -682.379833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.379833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.379833 (E_RNA)
where:
Base-Base interactions energy: -469.211
where: short stacking energy: -206.122
Base-Backbone interact. energy: -0.127
local terms energy: -213.041588
where:
bonds (distance) C4'-P energy: -42.370
bonds (distance) P-C4' energy: -38.758
flat angles C4'-P-C4' energy: -47.818
flat angles P-C4'-P energy: -30.645
tors. eta vs tors. theta energy: -53.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -699.481091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.481091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.481091 (E_RNA)
where:
Base-Base interactions energy: -479.713
where: short stacking energy: -214.599
Base-Backbone interact. energy: -0.808
local terms energy: -218.959732
where:
bonds (distance) C4'-P energy: -46.788
bonds (distance) P-C4' energy: -29.873
flat angles C4'-P-C4' energy: -50.448
flat angles P-C4'-P energy: -35.709
tors. eta vs tors. theta energy: -56.142
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: 9
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -538.510428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.510428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.510428 (E_RNA)
where:
Base-Base interactions energy: -338.609
where: short stacking energy: -163.131
Base-Backbone interact. energy: 0.331
local terms energy: -200.232133
where:
bonds (distance) C4'-P energy: -42.340
bonds (distance) P-C4' energy: -35.341
flat angles C4'-P-C4' energy: -45.230
flat angles P-C4'-P energy: -33.973
tors. eta vs tors. theta energy: -43.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -250.768291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.768291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.768291 (E_RNA)
where:
Base-Base interactions energy: -88.518
where: short stacking energy: -67.123
Base-Backbone interact. energy: -0.398
local terms energy: -161.852932
where:
bonds (distance) C4'-P energy: -44.851
bonds (distance) P-C4' energy: -55.861
flat angles C4'-P-C4' energy: -36.722
flat angles P-C4'-P energy: -22.317
tors. eta vs tors. theta energy: -2.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -961.550683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.550683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.550683 (E_RNA)
where:
Base-Base interactions energy: -662.135
where: short stacking energy: -302.271
Base-Backbone interact. energy: 0.779
local terms energy: -300.195358
where:
bonds (distance) C4'-P energy: -48.846
bonds (distance) P-C4' energy: -53.666
flat angles C4'-P-C4' energy: -62.211
flat angles P-C4'-P energy: -49.616
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: 2
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -933.614929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.614929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.614929 (E_RNA)
where:
Base-Base interactions energy: -638.182
where: short stacking energy: -265.842
Base-Backbone interact. energy: -1.568
local terms energy: -293.865293
where:
bonds (distance) C4'-P energy: -45.226
bonds (distance) P-C4' energy: -60.421
flat angles C4'-P-C4' energy: -65.250
flat angles P-C4'-P energy: -43.296
tors. eta vs tors. theta energy: -79.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -834.721242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.721242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.721242 (E_RNA)
where:
Base-Base interactions energy: -575.426
where: short stacking energy: -240.041
Base-Backbone interact. energy: -0.861
local terms energy: -258.433707
where:
bonds (distance) C4'-P energy: -53.647
bonds (distance) P-C4' energy: -50.687
flat angles C4'-P-C4' energy: -51.899
flat angles P-C4'-P energy: -29.118
tors. eta vs tors. theta energy: -73.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -854.696508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.696508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.696508 (E_RNA)
where:
Base-Base interactions energy: -586.824
where: short stacking energy: -246.044
Base-Backbone interact. energy: -0.319
local terms energy: -267.553607
where:
bonds (distance) C4'-P energy: -46.173
bonds (distance) P-C4' energy: -54.403
flat angles C4'-P-C4' energy: -52.853
flat angles P-C4'-P energy: -39.885
tors. eta vs tors. theta energy: -74.239
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: 8
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -817.196223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.196223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.196223 (E_RNA)
where:
Base-Base interactions energy: -564.400
where: short stacking energy: -231.623
Base-Backbone interact. energy: -1.402
local terms energy: -251.394471
where:
bonds (distance) C4'-P energy: -54.292
bonds (distance) P-C4' energy: -48.955
flat angles C4'-P-C4' energy: -55.206
flat angles P-C4'-P energy: -26.598
tors. eta vs tors. theta energy: -66.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -769.788802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.788802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.788802 (E_RNA)
where:
Base-Base interactions energy: -522.542
where: short stacking energy: -218.405
Base-Backbone interact. energy: -1.109
local terms energy: -246.138320
where:
bonds (distance) C4'-P energy: -47.041
bonds (distance) P-C4' energy: -46.608
flat angles C4'-P-C4' energy: -44.818
flat angles P-C4'-P energy: -40.607
tors. eta vs tors. theta energy: -67.064
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: 10
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -708.054826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.054826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.054826 (E_RNA)
where:
Base-Base interactions energy: -490.030
where: short stacking energy: -189.429
Base-Backbone interact. energy: -1.160
local terms energy: -216.865268
where:
bonds (distance) C4'-P energy: -35.154
bonds (distance) P-C4' energy: -45.064
flat angles C4'-P-C4' energy: -51.350
flat angles P-C4'-P energy: -33.131
tors. eta vs tors. theta energy: -52.166
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: 4
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -693.205538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.205538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.205538 (E_RNA)
where:
Base-Base interactions energy: -468.244
where: short stacking energy: -199.733
Base-Backbone interact. energy: -0.504
local terms energy: -224.457674
where:
bonds (distance) C4'-P energy: -49.199
bonds (distance) P-C4' energy: -36.908
flat angles C4'-P-C4' energy: -50.047
flat angles P-C4'-P energy: -33.086
tors. eta vs tors. theta energy: -55.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -539.009504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.009504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.009504 (E_RNA)
where:
Base-Base interactions energy: -345.076
where: short stacking energy: -165.305
Base-Backbone interact. energy: 0.216
local terms energy: -194.148809
where:
bonds (distance) C4'-P energy: -31.741
bonds (distance) P-C4' energy: -43.348
flat angles C4'-P-C4' energy: -40.827
flat angles P-C4'-P energy: -34.358
tors. eta vs tors. theta energy: -43.875
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: 6
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -214.110947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.110947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.110947 (E_RNA)
where:
Base-Base interactions energy: -71.915
where: short stacking energy: -65.622
Base-Backbone interact. energy: 1.025
local terms energy: -143.220277
where:
bonds (distance) C4'-P energy: -42.291
bonds (distance) P-C4' energy: -43.072
flat angles C4'-P-C4' energy: -39.297
flat angles P-C4'-P energy: -30.116
tors. eta vs tors. theta energy: 11.556
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: 222
Temperature: 0.900000
Total energy: -961.106491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.106491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.106491 (E_RNA)
where:
Base-Base interactions energy: -674.109
where: short stacking energy: -285.477
Base-Backbone interact. energy: -1.253
local terms energy: -285.745052
where:
bonds (distance) C4'-P energy: -49.818
bonds (distance) P-C4' energy: -52.191
flat angles C4'-P-C4' energy: -63.935
flat angles P-C4'-P energy: -40.561
tors. eta vs tors. theta energy: -79.240
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: 222
Temperature: 0.950000
Total energy: -922.598095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.598095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.598095 (E_RNA)
where:
Base-Base interactions energy: -637.850
where: short stacking energy: -260.919
Base-Backbone interact. energy: -0.858
local terms energy: -283.889718
where:
bonds (distance) C4'-P energy: -51.121
bonds (distance) P-C4' energy: -53.749
flat angles C4'-P-C4' energy: -58.269
flat angles P-C4'-P energy: -47.236
tors. eta vs tors. theta energy: -73.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -857.902539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.902539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.902539 (E_RNA)
where:
Base-Base interactions energy: -595.604
where: short stacking energy: -255.395
Base-Backbone interact. energy: 1.340
local terms energy: -263.638138
where:
bonds (distance) C4'-P energy: -53.820
bonds (distance) P-C4' energy: -54.521
flat angles C4'-P-C4' energy: -51.659
flat angles P-C4'-P energy: -40.067
tors. eta vs tors. theta energy: -63.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -818.017685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.017685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.017685 (E_RNA)
where:
Base-Base interactions energy: -565.331
where: short stacking energy: -239.752
Base-Backbone interact. energy: 2.504
local terms energy: -255.190840
where:
bonds (distance) C4'-P energy: -42.177
bonds (distance) P-C4' energy: -52.415
flat angles C4'-P-C4' energy: -54.020
flat angles P-C4'-P energy: -36.880
tors. eta vs tors. theta energy: -69.698
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: 5, replica: 7
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -802.819194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.819194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.819194 (E_RNA)
where:
Base-Base interactions energy: -544.990
where: short stacking energy: -235.723
Base-Backbone interact. energy: -1.207
local terms energy: -256.622237
where:
bonds (distance) C4'-P energy: -53.548
bonds (distance) P-C4' energy: -48.217
flat angles C4'-P-C4' energy: -58.320
flat angles P-C4'-P energy: -25.423
tors. eta vs tors. theta energy: -71.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -785.112369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.112369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.112369 (E_RNA)
where:
Base-Base interactions energy: -557.758
where: short stacking energy: -210.512
Base-Backbone interact. energy: -1.777
local terms energy: -225.576880
where:
bonds (distance) C4'-P energy: -36.703
bonds (distance) P-C4' energy: -43.950
flat angles C4'-P-C4' energy: -56.327
flat angles P-C4'-P energy: -32.818
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: 10
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -725.248327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.248327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.248327 (E_RNA)
where:
Base-Base interactions energy: -508.609
where: short stacking energy: -202.351
Base-Backbone interact. energy: 0.034
local terms energy: -216.673166
where:
bonds (distance) C4'-P energy: -47.153
bonds (distance) P-C4' energy: -41.994
flat angles C4'-P-C4' energy: -51.124
flat angles P-C4'-P energy: -28.890
tors. eta vs tors. theta energy: -47.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -705.226743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.226743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.226743 (E_RNA)
where:
Base-Base interactions energy: -466.916
where: short stacking energy: -195.194
Base-Backbone interact. energy: -1.153
local terms energy: -237.158483
where:
bonds (distance) C4'-P energy: -48.941
bonds (distance) P-C4' energy: -43.584
flat angles C4'-P-C4' energy: -56.394
flat angles P-C4'-P energy: -35.236
tors. eta vs tors. theta energy: -53.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -562.265781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.265781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.265781 (E_RNA)
where:
Base-Base interactions energy: -363.912
where: short stacking energy: -160.894
Base-Backbone interact. energy: -1.273
local terms energy: -197.081283
where:
bonds (distance) C4'-P energy: -43.540
bonds (distance) P-C4' energy: -45.147
flat angles C4'-P-C4' energy: -51.959
flat angles P-C4'-P energy: -11.750
tors. eta vs tors. theta energy: -44.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -222.866607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.866607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.866607 (E_RNA)
where:
Base-Base interactions energy: -73.662
where: short stacking energy: -68.178
Base-Backbone interact. energy: -0.735
local terms energy: -148.469549
where:
bonds (distance) C4'-P energy: -49.021
bonds (distance) P-C4' energy: -30.299
flat angles C4'-P-C4' energy: -35.793
flat angles P-C4'-P energy: -32.053
tors. eta vs tors. theta energy: -1.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -967.967826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.967826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.967826 (E_RNA)
where:
Base-Base interactions energy: -673.524
where: short stacking energy: -290.017
Base-Backbone interact. energy: -1.663
local terms energy: -292.780994
where:
bonds (distance) C4'-P energy: -53.818
bonds (distance) P-C4' energy: -47.480
flat angles C4'-P-C4' energy: -62.580
flat angles P-C4'-P energy: -43.327
tors. eta vs tors. theta energy: -85.577
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: 2
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -936.961500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.961500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.961500 (E_RNA)
where:
Base-Base interactions energy: -661.456
where: short stacking energy: -283.536
Base-Backbone interact. energy: -0.873
local terms energy: -274.632526
where:
bonds (distance) C4'-P energy: -34.372
bonds (distance) P-C4' energy: -49.379
flat angles C4'-P-C4' energy: -66.320
flat angles P-C4'-P energy: -40.130
tors. eta vs tors. theta energy: -84.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -862.164818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.164818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.164818 (E_RNA)
where:
Base-Base interactions energy: -602.928
where: short stacking energy: -260.889
Base-Backbone interact. energy: -1.427
local terms energy: -257.810065
where:
bonds (distance) C4'-P energy: -51.111
bonds (distance) P-C4' energy: -41.447
flat angles C4'-P-C4' energy: -56.907
flat angles P-C4'-P energy: -32.720
tors. eta vs tors. theta energy: -75.625
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: 4, replica: 5
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -824.130643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.130643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.130643 (E_RNA)
where:
Base-Base interactions energy: -571.957
where: short stacking energy: -238.806
Base-Backbone interact. energy: -0.615
local terms energy: -251.558291
where:
bonds (distance) C4'-P energy: -49.064
bonds (distance) P-C4' energy: -46.301
flat angles C4'-P-C4' energy: -46.868
flat angles P-C4'-P energy: -37.628
tors. eta vs tors. theta energy: -71.697
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: 5, replica: 7
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -795.571989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.571989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.571989 (E_RNA)
where:
Base-Base interactions energy: -535.697
where: short stacking energy: -234.623
Base-Backbone interact. energy: -0.529
local terms energy: -259.345566
where:
bonds (distance) C4'-P energy: -52.605
bonds (distance) P-C4' energy: -41.294
flat angles C4'-P-C4' energy: -55.843
flat angles P-C4'-P energy: -40.226
tors. eta vs tors. theta energy: -69.376
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: 6, replica: 8
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -775.897051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.897051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.897051 (E_RNA)
where:
Base-Base interactions energy: -541.856
where: short stacking energy: -213.323
Base-Backbone interact. energy: 0.602
local terms energy: -234.643003
where:
bonds (distance) C4'-P energy: -41.849
bonds (distance) P-C4' energy: -50.915
flat angles C4'-P-C4' energy: -44.032
flat angles P-C4'-P energy: -35.291
tors. eta vs tors. theta energy: -62.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -707.238889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.238889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.238889 (E_RNA)
where:
Base-Base interactions energy: -481.369
where: short stacking energy: -209.369
Base-Backbone interact. energy: 0.854
local terms energy: -226.723469
where:
bonds (distance) C4'-P energy: -32.671
bonds (distance) P-C4' energy: -52.269
flat angles C4'-P-C4' energy: -52.800
flat angles P-C4'-P energy: -31.699
tors. eta vs tors. theta energy: -57.285
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: 4
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -677.361729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.361729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.361729 (E_RNA)
where:
Base-Base interactions energy: -467.447
where: short stacking energy: -199.187
Base-Backbone interact. energy: -0.836
local terms energy: -209.079652
where:
bonds (distance) C4'-P energy: -40.145
bonds (distance) P-C4' energy: -42.120
flat angles C4'-P-C4' energy: -48.080
flat angles P-C4'-P energy: -34.542
tors. eta vs tors. theta energy: -44.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -566.840720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.840720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.840720 (E_RNA)
where:
Base-Base interactions energy: -356.206
where: short stacking energy: -163.350
Base-Backbone interact. energy: -1.032
local terms energy: -209.601988
where:
bonds (distance) C4'-P energy: -39.788
bonds (distance) P-C4' energy: -52.543
flat angles C4'-P-C4' energy: -47.761
flat angles P-C4'-P energy: -34.527
tors. eta vs tors. theta energy: -34.982
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: 6
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -231.033952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.033952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.033952 (E_RNA)
where:
Base-Base interactions energy: -76.970
where: short stacking energy: -61.425
Base-Backbone interact. energy: -0.605
local terms energy: -153.459094
where:
bonds (distance) C4'-P energy: -46.054
bonds (distance) P-C4' energy: -47.411
flat angles C4'-P-C4' energy: -35.882
flat angles P-C4'-P energy: -27.407
tors. eta vs tors. theta energy: 3.296
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: 1
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -963.887262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.887262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.887262 (E_RNA)
where:
Base-Base interactions energy: -679.148
where: short stacking energy: -306.802
Base-Backbone interact. energy: 0.328
local terms energy: -285.066896
where:
bonds (distance) C4'-P energy: -52.535
bonds (distance) P-C4' energy: -50.251
flat angles C4'-P-C4' energy: -59.104
flat angles P-C4'-P energy: -37.848
tors. eta vs tors. theta energy: -85.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -923.784077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.784077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.784077 (E_RNA)
where:
Base-Base interactions energy: -638.454
where: short stacking energy: -257.761
Base-Backbone interact. energy: -0.785
local terms energy: -284.545377
where:
bonds (distance) C4'-P energy: -50.956
bonds (distance) P-C4' energy: -57.501
flat angles C4'-P-C4' energy: -61.455
flat angles P-C4'-P energy: -44.232
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: 3, replica: 5
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -832.394370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.394370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.394370 (E_RNA)
where:
Base-Base interactions energy: -565.488
where: short stacking energy: -245.240
Base-Backbone interact. energy: 1.547
local terms energy: -268.453262
where:
bonds (distance) C4'-P energy: -53.387
bonds (distance) P-C4' energy: -55.513
flat angles C4'-P-C4' energy: -60.085
flat angles P-C4'-P energy: -41.662
tors. eta vs tors. theta energy: -57.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -835.137675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.137675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.137675 (E_RNA)
where:
Base-Base interactions energy: -581.519
where: short stacking energy: -244.303
Base-Backbone interact. energy: -1.796
local terms energy: -251.823400
where:
bonds (distance) C4'-P energy: -44.322
bonds (distance) P-C4' energy: -45.494
flat angles C4'-P-C4' energy: -48.358
flat angles P-C4'-P energy: -45.212
tors. eta vs tors. theta energy: -68.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -832.329237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.329237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.329237 (E_RNA)
where:
Base-Base interactions energy: -593.049
where: short stacking energy: -238.012
Base-Backbone interact. energy: -0.330
local terms energy: -238.950361
where:
bonds (distance) C4'-P energy: -42.742
bonds (distance) P-C4' energy: -40.172
flat angles C4'-P-C4' energy: -48.217
flat angles P-C4'-P energy: -39.205
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: 7
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -767.971852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.971852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.971852 (E_RNA)
where:
Base-Base interactions energy: -530.703
where: short stacking energy: -222.385
Base-Backbone interact. energy: -1.204
local terms energy: -236.065060
where:
bonds (distance) C4'-P energy: -40.104
bonds (distance) P-C4' energy: -47.011
flat angles C4'-P-C4' energy: -59.125
flat angles P-C4'-P energy: -27.505
tors. eta vs tors. theta energy: -62.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -744.757919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.757919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.757919 (E_RNA)
where:
Base-Base interactions energy: -500.976
where: short stacking energy: -211.801
Base-Backbone interact. energy: -0.658
local terms energy: -243.123915
where:
bonds (distance) C4'-P energy: -39.956
bonds (distance) P-C4' energy: -57.514
flat angles C4'-P-C4' energy: -48.530
flat angles P-C4'-P energy: -35.894
tors. eta vs tors. theta energy: -61.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -639.341244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.341244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.341244 (E_RNA)
where:
Base-Base interactions energy: -419.034
where: short stacking energy: -185.217
Base-Backbone interact. energy: 1.270
local terms energy: -221.577654
where:
bonds (distance) C4'-P energy: -46.618
bonds (distance) P-C4' energy: -48.197
flat angles C4'-P-C4' energy: -49.199
flat angles P-C4'-P energy: -39.221
tors. eta vs tors. theta energy: -38.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -560.159329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.159329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.159329 (E_RNA)
where:
Base-Base interactions energy: -352.042
where: short stacking energy: -172.235
Base-Backbone interact. energy: -0.276
local terms energy: -207.841473
where:
bonds (distance) C4'-P energy: -45.037
bonds (distance) P-C4' energy: -55.153
flat angles C4'-P-C4' energy: -43.246
flat angles P-C4'-P energy: -23.560
tors. eta vs tors. theta energy: -40.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -249.579085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.579085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.579085 (E_RNA)
where:
Base-Base interactions energy: -104.567
where: short stacking energy: -76.671
Base-Backbone interact. energy: 1.203
local terms energy: -146.214704
where:
bonds (distance) C4'-P energy: -37.433
bonds (distance) P-C4' energy: -44.392
flat angles C4'-P-C4' energy: -41.855
flat angles P-C4'-P energy: -29.731
tors. eta vs tors. theta energy: 7.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -974.737246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.737246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.737246 (E_RNA)
where:
Base-Base interactions energy: -672.508
where: short stacking energy: -289.007
Base-Backbone interact. energy: -0.625
local terms energy: -301.604287
where:
bonds (distance) C4'-P energy: -57.718
bonds (distance) P-C4' energy: -54.892
flat angles C4'-P-C4' energy: -64.020
flat angles P-C4'-P energy: -39.685
tors. eta vs tors. theta energy: -85.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -919.373072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.373072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.373072 (E_RNA)
where:
Base-Base interactions energy: -645.732
where: short stacking energy: -275.533
Base-Backbone interact. energy: -1.430
local terms energy: -272.210906
where:
bonds (distance) C4'-P energy: -48.252
bonds (distance) P-C4' energy: -46.271
flat angles C4'-P-C4' energy: -54.372
flat angles P-C4'-P energy: -41.235
tors. eta vs tors. theta energy: -82.081
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: 3, replica: 5
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -865.286636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.286636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.286636 (E_RNA)
where:
Base-Base interactions energy: -584.203
where: short stacking energy: -253.185
Base-Backbone interact. energy: -1.061
local terms energy: -280.022933
where:
bonds (distance) C4'-P energy: -51.325
bonds (distance) P-C4' energy: -60.021
flat angles C4'-P-C4' energy: -54.112
flat angles P-C4'-P energy: -40.583
tors. eta vs tors. theta energy: -73.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -853.392307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.392307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.392307 (E_RNA)
where:
Base-Base interactions energy: -587.698
where: short stacking energy: -232.413
Base-Backbone interact. energy: -0.361
local terms energy: -265.333888
where:
bonds (distance) C4'-P energy: -48.618
bonds (distance) P-C4' energy: -48.091
flat angles C4'-P-C4' energy: -57.041
flat angles P-C4'-P energy: -41.158
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: 5, replica: 3
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -809.780937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.780937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.780937 (E_RNA)
where:
Base-Base interactions energy: -566.841
where: short stacking energy: -235.096
Base-Backbone interact. energy: -0.382
local terms energy: -242.557941
where:
bonds (distance) C4'-P energy: -42.402
bonds (distance) P-C4' energy: -47.955
flat angles C4'-P-C4' energy: -57.013
flat angles P-C4'-P energy: -24.348
tors. eta vs tors. theta energy: -70.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -755.842951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.842951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.842951 (E_RNA)
where:
Base-Base interactions energy: -518.043
where: short stacking energy: -215.168
Base-Backbone interact. energy: -1.002
local terms energy: -236.797504
where:
bonds (distance) C4'-P energy: -44.544
bonds (distance) P-C4' energy: -48.496
flat angles C4'-P-C4' energy: -54.189
flat angles P-C4'-P energy: -30.905
tors. eta vs tors. theta energy: -58.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -741.501519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.501519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.501519 (E_RNA)
where:
Base-Base interactions energy: -510.596
where: short stacking energy: -203.715
Base-Backbone interact. energy: -0.658
local terms energy: -230.247542
where:
bonds (distance) C4'-P energy: -47.812
bonds (distance) P-C4' energy: -50.217
flat angles C4'-P-C4' energy: -53.891
flat angles P-C4'-P energy: -33.507
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: 225
Temperature: 1.250000
Total energy: -652.646669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.646669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.646669 (E_RNA)
where:
Base-Base interactions energy: -438.311
where: short stacking energy: -181.270
Base-Backbone interact. energy: 0.522
local terms energy: -214.857760
where:
bonds (distance) C4'-P energy: -42.476
bonds (distance) P-C4' energy: -47.946
flat angles C4'-P-C4' energy: -47.416
flat angles P-C4'-P energy: -26.324
tors. eta vs tors. theta energy: -50.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -522.360342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.360342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.360342 (E_RNA)
where:
Base-Base interactions energy: -336.860
where: short stacking energy: -162.862
Base-Backbone interact. energy: -0.194
local terms energy: -185.306130
where:
bonds (distance) C4'-P energy: -36.913
bonds (distance) P-C4' energy: -52.172
flat angles C4'-P-C4' energy: -33.901
flat angles P-C4'-P energy: -23.790
tors. eta vs tors. theta energy: -38.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -219.744771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.744771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.744771 (E_RNA)
where:
Base-Base interactions energy: -62.669
where: short stacking energy: -50.776
Base-Backbone interact. energy: -0.064
local terms energy: -157.011595
where:
bonds (distance) C4'-P energy: -43.793
bonds (distance) P-C4' energy: -52.023
flat angles C4'-P-C4' energy: -45.419
flat angles P-C4'-P energy: -26.982
tors. eta vs tors. theta energy: 11.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -964.003317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.003317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.003317 (E_RNA)
where:
Base-Base interactions energy: -671.139
where: short stacking energy: -295.288
Base-Backbone interact. energy: -0.848
local terms energy: -292.016574
where:
bonds (distance) C4'-P energy: -52.088
bonds (distance) P-C4' energy: -53.485
flat angles C4'-P-C4' energy: -62.414
flat angles P-C4'-P energy: -38.033
tors. eta vs tors. theta energy: -85.997
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: 2, replica: 2
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -926.416108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.416108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.416108 (E_RNA)
where:
Base-Base interactions energy: -649.466
where: short stacking energy: -278.973
Base-Backbone interact. energy: -1.484
local terms energy: -275.466424
where:
bonds (distance) C4'-P energy: -52.246
bonds (distance) P-C4' energy: -55.272
flat angles C4'-P-C4' energy: -52.912
flat angles P-C4'-P energy: -35.559
tors. eta vs tors. theta energy: -79.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -882.377147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.377147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.377147 (E_RNA)
where:
Base-Base interactions energy: -601.756
where: short stacking energy: -257.053
Base-Backbone interact. energy: -0.892
local terms energy: -279.729113
where:
bonds (distance) C4'-P energy: -47.959
bonds (distance) P-C4' energy: -49.196
flat angles C4'-P-C4' energy: -58.878
flat angles P-C4'-P energy: -40.542
tors. eta vs tors. theta energy: -83.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -853.063063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.063063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.063063 (E_RNA)
where:
Base-Base interactions energy: -591.092
where: short stacking energy: -245.169
Base-Backbone interact. energy: -0.025
local terms energy: -261.945077
where:
bonds (distance) C4'-P energy: -56.295
bonds (distance) P-C4' energy: -43.380
flat angles C4'-P-C4' energy: -54.419
flat angles P-C4'-P energy: -38.297
tors. eta vs tors. theta energy: -69.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -793.495931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.495931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.495931 (E_RNA)
where:
Base-Base interactions energy: -538.892
where: short stacking energy: -216.003
Base-Backbone interact. energy: -0.169
local terms energy: -254.434476
where:
bonds (distance) C4'-P energy: -52.198
bonds (distance) P-C4' energy: -53.355
flat angles C4'-P-C4' energy: -57.667
flat angles P-C4'-P energy: -34.397
tors. eta vs tors. theta energy: -56.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -756.289887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.289887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.289887 (E_RNA)
where:
Base-Base interactions energy: -510.177
where: short stacking energy: -207.900
Base-Backbone interact. energy: -1.033
local terms energy: -245.079539
where:
bonds (distance) C4'-P energy: -45.870
bonds (distance) P-C4' energy: -47.253
flat angles C4'-P-C4' energy: -53.373
flat angles P-C4'-P energy: -43.881
tors. eta vs tors. theta energy: -54.702
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: 4
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -663.521478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.521478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.521478 (E_RNA)
where:
Base-Base interactions energy: -461.874
where: short stacking energy: -196.146
Base-Backbone interact. energy: 0.702
local terms energy: -202.349417
where:
bonds (distance) C4'-P energy: -38.108
bonds (distance) P-C4' energy: -43.994
flat angles C4'-P-C4' energy: -56.028
flat angles P-C4'-P energy: -22.359
tors. eta vs tors. theta energy: -41.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -664.967517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.967517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.967517 (E_RNA)
where:
Base-Base interactions energy: -457.569
where: short stacking energy: -191.326
Base-Backbone interact. energy: -1.590
local terms energy: -205.808478
where:
bonds (distance) C4'-P energy: -41.998
bonds (distance) P-C4' energy: -44.545
flat angles C4'-P-C4' energy: -40.544
flat angles P-C4'-P energy: -34.787
tors. eta vs tors. theta energy: -43.934
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: 9, replica: 9
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -586.744600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.744600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.744600 (E_RNA)
where:
Base-Base interactions energy: -352.337
where: short stacking energy: -174.642
Base-Backbone interact. energy: -0.323
local terms energy: -234.084370
where:
bonds (distance) C4'-P energy: -52.463
bonds (distance) P-C4' energy: -44.133
flat angles C4'-P-C4' energy: -49.414
flat angles P-C4'-P energy: -32.051
tors. eta vs tors. theta energy: -56.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -217.699739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.699739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.699739 (E_RNA)
where:
Base-Base interactions energy: -76.130
where: short stacking energy: -68.038
Base-Backbone interact. energy: 1.493
local terms energy: -143.062274
where:
bonds (distance) C4'-P energy: -38.509
bonds (distance) P-C4' energy: -51.361
flat angles C4'-P-C4' energy: -33.303
flat angles P-C4'-P energy: -28.221
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: 1, replica: 1
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -967.715291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.715291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.715291 (E_RNA)
where:
Base-Base interactions energy: -677.525
where: short stacking energy: -291.142
Base-Backbone interact. energy: 1.007
local terms energy: -291.197758
where:
bonds (distance) C4'-P energy: -50.577
bonds (distance) P-C4' energy: -38.371
flat angles C4'-P-C4' energy: -65.170
flat angles P-C4'-P energy: -46.390
tors. eta vs tors. theta energy: -90.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -913.817322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.817322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.817322 (E_RNA)
where:
Base-Base interactions energy: -626.653
where: short stacking energy: -271.508
Base-Backbone interact. energy: -1.162
local terms energy: -286.002246
where:
bonds (distance) C4'-P energy: -48.040
bonds (distance) P-C4' energy: -51.304
flat angles C4'-P-C4' energy: -62.889
flat angles P-C4'-P energy: -42.415
tors. eta vs tors. theta energy: -81.354
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: 227
Temperature: 1.000000
Total energy: -919.897201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.897201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.897201 (E_RNA)
where:
Base-Base interactions energy: -638.088
where: short stacking energy: -255.424
Base-Backbone interact. energy: -1.811
local terms energy: -279.998698
where:
bonds (distance) C4'-P energy: -58.558
bonds (distance) P-C4' energy: -52.392
flat angles C4'-P-C4' energy: -61.880
flat angles P-C4'-P energy: -33.406
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: 8
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -832.053352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.053352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.053352 (E_RNA)
where:
Base-Base interactions energy: -570.676
where: short stacking energy: -232.310
Base-Backbone interact. energy: 0.751
local terms energy: -262.128481
where:
bonds (distance) C4'-P energy: -52.333
bonds (distance) P-C4' energy: -50.300
flat angles C4'-P-C4' energy: -57.480
flat angles P-C4'-P energy: -35.266
tors. eta vs tors. theta energy: -66.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -823.982532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.982532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.982532 (E_RNA)
where:
Base-Base interactions energy: -576.754
where: short stacking energy: -252.872
Base-Backbone interact. energy: -0.800
local terms energy: -246.428795
where:
bonds (distance) C4'-P energy: -52.042
bonds (distance) P-C4' energy: -41.187
flat angles C4'-P-C4' energy: -50.759
flat angles P-C4'-P energy: -24.422
tors. eta vs tors. theta energy: -78.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -748.849676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.849676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.849676 (E_RNA)
where:
Base-Base interactions energy: -500.777
where: short stacking energy: -222.248
Base-Backbone interact. energy: 0.281
local terms energy: -248.353486
where:
bonds (distance) C4'-P energy: -40.359
bonds (distance) P-C4' energy: -55.900
flat angles C4'-P-C4' energy: -45.561
flat angles P-C4'-P energy: -39.003
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: 227
Temperature: 1.200000
Total energy: -701.884551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.884551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.884551 (E_RNA)
where:
Base-Base interactions energy: -477.019
where: short stacking energy: -206.080
Base-Backbone interact. energy: 0.234
local terms energy: -225.099845
where:
bonds (distance) C4'-P energy: -40.046
bonds (distance) P-C4' energy: -49.027
flat angles C4'-P-C4' energy: -51.522
flat angles P-C4'-P energy: -31.355
tors. eta vs tors. theta energy: -53.150
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: 10
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -678.140841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.140841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.140841 (E_RNA)
where:
Base-Base interactions energy: -477.365
where: short stacking energy: -193.991
Base-Backbone interact. energy: -1.426
local terms energy: -199.349323
where:
bonds (distance) C4'-P energy: -38.127
bonds (distance) P-C4' energy: -32.532
flat angles C4'-P-C4' energy: -53.714
flat angles P-C4'-P energy: -27.018
tors. eta vs tors. theta energy: -47.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -518.578759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.578759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.578759 (E_RNA)
where:
Base-Base interactions energy: -338.964
where: short stacking energy: -159.739
Base-Backbone interact. energy: 3.679
local terms energy: -183.293948
where:
bonds (distance) C4'-P energy: -44.889
bonds (distance) P-C4' energy: -43.929
flat angles C4'-P-C4' energy: -40.161
flat angles P-C4'-P energy: -28.794
tors. eta vs tors. theta energy: -25.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -236.932016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.932016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.932016 (E_RNA)
where:
Base-Base interactions energy: -84.330
where: short stacking energy: -69.810
Base-Backbone interact. energy: -0.613
local terms energy: -151.989412
where:
bonds (distance) C4'-P energy: -48.107
bonds (distance) P-C4' energy: -53.332
flat angles C4'-P-C4' energy: -36.975
flat angles P-C4'-P energy: -16.079
tors. eta vs tors. theta energy: 2.504
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: 1
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -967.577758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.577758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.577758 (E_RNA)
where:
Base-Base interactions energy: -665.127
where: short stacking energy: -296.341
Base-Backbone interact. energy: 1.213
local terms energy: -303.663945
where:
bonds (distance) C4'-P energy: -59.009
bonds (distance) P-C4' energy: -51.788
flat angles C4'-P-C4' energy: -57.121
flat angles P-C4'-P energy: -48.695
tors. eta vs tors. theta energy: -87.051
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: 5
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -886.110153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.110153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.110153 (E_RNA)
where:
Base-Base interactions energy: -615.331
where: short stacking energy: -260.299
Base-Backbone interact. energy: -0.672
local terms energy: -270.107811
where:
bonds (distance) C4'-P energy: -44.276
bonds (distance) P-C4' energy: -56.760
flat angles C4'-P-C4' energy: -57.746
flat angles P-C4'-P energy: -40.866
tors. eta vs tors. theta energy: -70.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -882.387491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.387491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.387491 (E_RNA)
where:
Base-Base interactions energy: -605.629
where: short stacking energy: -244.426
Base-Backbone interact. energy: -0.803
local terms energy: -275.954997
where:
bonds (distance) C4'-P energy: -56.164
bonds (distance) P-C4' energy: -51.743
flat angles C4'-P-C4' energy: -59.741
flat angles P-C4'-P energy: -38.187
tors. eta vs tors. theta energy: -70.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -876.625277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.625277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.625277 (E_RNA)
where:
Base-Base interactions energy: -599.526
where: short stacking energy: -258.965
Base-Backbone interact. energy: 0.551
local terms energy: -277.650029
where:
bonds (distance) C4'-P energy: -49.278
bonds (distance) P-C4' energy: -46.603
flat angles C4'-P-C4' energy: -56.064
flat angles P-C4'-P energy: -49.388
tors. eta vs tors. theta energy: -76.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -834.852391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.852391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.852391 (E_RNA)
where:
Base-Base interactions energy: -592.175
where: short stacking energy: -235.375
Base-Backbone interact. energy: -1.011
local terms energy: -241.666539
where:
bonds (distance) C4'-P energy: -39.618
bonds (distance) P-C4' energy: -50.455
flat angles C4'-P-C4' energy: -54.787
flat angles P-C4'-P energy: -34.142
tors. eta vs tors. theta energy: -62.665
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: 6, replica: 4
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -718.367320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.367320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.367320 (E_RNA)
where:
Base-Base interactions energy: -465.087
where: short stacking energy: -209.746
Base-Backbone interact. energy: -0.799
local terms energy: -252.481209
where:
bonds (distance) C4'-P energy: -49.882
bonds (distance) P-C4' energy: -52.023
flat angles C4'-P-C4' energy: -54.482
flat angles P-C4'-P energy: -33.070
tors. eta vs tors. theta energy: -63.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -741.616695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.616695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.616695 (E_RNA)
where:
Base-Base interactions energy: -504.867
where: short stacking energy: -208.628
Base-Backbone interact. energy: -0.884
local terms energy: -235.865988
where:
bonds (distance) C4'-P energy: -47.542
bonds (distance) P-C4' energy: -41.593
flat angles C4'-P-C4' energy: -53.108
flat angles P-C4'-P energy: -33.573
tors. eta vs tors. theta energy: -60.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -699.628676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.628676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.628676 (E_RNA)
where:
Base-Base interactions energy: -472.921
where: short stacking energy: -205.317
Base-Backbone interact. energy: -1.493
local terms energy: -225.214832
where:
bonds (distance) C4'-P energy: -34.121
bonds (distance) P-C4' energy: -49.564
flat angles C4'-P-C4' energy: -53.103
flat angles P-C4'-P energy: -32.709
tors. eta vs tors. theta energy: -55.718
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: 228
Temperature: 1.300000
Total energy: -521.327510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.327510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.327510 (E_RNA)
where:
Base-Base interactions energy: -335.887
where: short stacking energy: -152.483
Base-Backbone interact. energy: 2.225
local terms energy: -187.665488
where:
bonds (distance) C4'-P energy: -32.705
bonds (distance) P-C4' energy: -41.460
flat angles C4'-P-C4' energy: -46.966
flat angles P-C4'-P energy: -32.227
tors. eta vs tors. theta energy: -34.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -219.871963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.871963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.871963 (E_RNA)
where:
Base-Base interactions energy: -74.255
where: short stacking energy: -59.985
Base-Backbone interact. energy: 2.013
local terms energy: -147.629975
where:
bonds (distance) C4'-P energy: -43.886
bonds (distance) P-C4' energy: -34.118
flat angles C4'-P-C4' energy: -39.732
flat angles P-C4'-P energy: -26.593
tors. eta vs tors. theta energy: -3.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -956.515676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.515676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.515676 (E_RNA)
where:
Base-Base interactions energy: -663.378
where: short stacking energy: -300.214
Base-Backbone interact. energy: -0.413
local terms energy: -292.724839
where:
bonds (distance) C4'-P energy: -56.311
bonds (distance) P-C4' energy: -51.669
flat angles C4'-P-C4' energy: -56.041
flat angles P-C4'-P energy: -36.275
tors. eta vs tors. theta energy: -92.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -909.087886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.087886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.087886 (E_RNA)
where:
Base-Base interactions energy: -620.974
where: short stacking energy: -262.726
Base-Backbone interact. energy: -1.353
local terms energy: -286.760987
where:
bonds (distance) C4'-P energy: -54.178
bonds (distance) P-C4' energy: -55.292
flat angles C4'-P-C4' energy: -60.799
flat angles P-C4'-P energy: -35.545
tors. eta vs tors. theta energy: -80.947
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: 2
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -890.815112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.815112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.815112 (E_RNA)
where:
Base-Base interactions energy: -625.938
where: short stacking energy: -255.696
Base-Backbone interact. energy: -0.797
local terms energy: -264.080109
where:
bonds (distance) C4'-P energy: -54.660
bonds (distance) P-C4' energy: -52.790
flat angles C4'-P-C4' energy: -55.541
flat angles P-C4'-P energy: -35.825
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: 4, replica: 3
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -848.195705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.195705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.195705 (E_RNA)
where:
Base-Base interactions energy: -569.569
where: short stacking energy: -241.021
Base-Backbone interact. energy: -1.467
local terms energy: -277.159530
where:
bonds (distance) C4'-P energy: -53.553
bonds (distance) P-C4' energy: -51.654
flat angles C4'-P-C4' energy: -52.982
flat angles P-C4'-P energy: -39.576
tors. eta vs tors. theta energy: -79.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -839.196113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.196113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.196113 (E_RNA)
where:
Base-Base interactions energy: -578.609
where: short stacking energy: -267.773
Base-Backbone interact. energy: -0.482
local terms energy: -260.105187
where:
bonds (distance) C4'-P energy: -44.702
bonds (distance) P-C4' energy: -47.972
flat angles C4'-P-C4' energy: -55.806
flat angles P-C4'-P energy: -34.777
tors. eta vs tors. theta energy: -76.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -750.963755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.963755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.963755 (E_RNA)
where:
Base-Base interactions energy: -506.412
where: short stacking energy: -221.124
Base-Backbone interact. energy: -0.105
local terms energy: -244.446628
where:
bonds (distance) C4'-P energy: -55.837
bonds (distance) P-C4' energy: -44.936
flat angles C4'-P-C4' energy: -50.614
flat angles P-C4'-P energy: -31.753
tors. eta vs tors. theta energy: -61.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -733.641517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.641517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.641517 (E_RNA)
where:
Base-Base interactions energy: -518.875
where: short stacking energy: -216.008
Base-Backbone interact. energy: -0.817
local terms energy: -213.949549
where:
bonds (distance) C4'-P energy: -41.863
bonds (distance) P-C4' energy: -46.999
flat angles C4'-P-C4' energy: -50.843
flat angles P-C4'-P energy: -26.377
tors. eta vs tors. theta energy: -47.867
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: 10
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -695.755016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.755016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.755016 (E_RNA)
where:
Base-Base interactions energy: -472.629
where: short stacking energy: -186.152
Base-Backbone interact. energy: -1.008
local terms energy: -222.117315
where:
bonds (distance) C4'-P energy: -43.823
bonds (distance) P-C4' energy: -50.059
flat angles C4'-P-C4' energy: -43.948
flat angles P-C4'-P energy: -32.208
tors. eta vs tors. theta energy: -52.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -480.773099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.773099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.773099 (E_RNA)
where:
Base-Base interactions energy: -290.465
where: short stacking energy: -147.012
Base-Backbone interact. energy: -0.605
local terms energy: -189.703268
where:
bonds (distance) C4'-P energy: -32.500
bonds (distance) P-C4' energy: -43.939
flat angles C4'-P-C4' energy: -52.800
flat angles P-C4'-P energy: -26.854
tors. eta vs tors. theta energy: -33.610
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: 6
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -246.849977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.849977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.849977 (E_RNA)
where:
Base-Base interactions energy: -98.620
where: short stacking energy: -85.123
Base-Backbone interact. energy: 0.412
local terms energy: -148.642092
where:
bonds (distance) C4'-P energy: -36.927
bonds (distance) P-C4' energy: -39.304
flat angles C4'-P-C4' energy: -42.197
flat angles P-C4'-P energy: -25.036
tors. eta vs tors. theta energy: -5.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -964.251669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.251669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.251669 (E_RNA)
where:
Base-Base interactions energy: -670.123
where: short stacking energy: -297.491
Base-Backbone interact. energy: -1.418
local terms energy: -292.710532
where:
bonds (distance) C4'-P energy: -51.873
bonds (distance) P-C4' energy: -55.117
flat angles C4'-P-C4' energy: -54.127
flat angles P-C4'-P energy: -44.182
tors. eta vs tors. theta energy: -87.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -885.364233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.364233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.364233 (E_RNA)
where:
Base-Base interactions energy: -603.676
where: short stacking energy: -269.217
Base-Backbone interact. energy: -1.124
local terms energy: -280.564214
where:
bonds (distance) C4'-P energy: -49.949
bonds (distance) P-C4' energy: -57.437
flat angles C4'-P-C4' energy: -60.998
flat angles P-C4'-P energy: -35.129
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: 3, replica: 2
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -887.860699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.860699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.860699 (E_RNA)
where:
Base-Base interactions energy: -637.613
where: short stacking energy: -264.756
Base-Backbone interact. energy: -0.847
local terms energy: -249.400758
where:
bonds (distance) C4'-P energy: -41.436
bonds (distance) P-C4' energy: -52.480
flat angles C4'-P-C4' energy: -50.122
flat angles P-C4'-P energy: -32.723
tors. eta vs tors. theta energy: -72.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -833.860486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.860486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.860486 (E_RNA)
where:
Base-Base interactions energy: -553.810
where: short stacking energy: -230.004
Base-Backbone interact. energy: -0.503
local terms energy: -279.547440
where:
bonds (distance) C4'-P energy: -52.720
bonds (distance) P-C4' energy: -57.847
flat angles C4'-P-C4' energy: -62.170
flat angles P-C4'-P energy: -41.453
tors. eta vs tors. theta energy: -65.357
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: 8
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -845.726718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.726718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.726718 (E_RNA)
where:
Base-Base interactions energy: -573.325
where: short stacking energy: -242.688
Base-Backbone interact. energy: -1.175
local terms energy: -271.227551
where:
bonds (distance) C4'-P energy: -42.961
bonds (distance) P-C4' energy: -52.140
flat angles C4'-P-C4' energy: -60.467
flat angles P-C4'-P energy: -39.792
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: 6, replica: 7
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -756.097212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.097212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.097212 (E_RNA)
where:
Base-Base interactions energy: -513.860
where: short stacking energy: -235.392
Base-Backbone interact. energy: -0.168
local terms energy: -242.068664
where:
bonds (distance) C4'-P energy: -35.994
bonds (distance) P-C4' energy: -44.504
flat angles C4'-P-C4' energy: -56.824
flat angles P-C4'-P energy: -32.262
tors. eta vs tors. theta energy: -72.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -719.239362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.239362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.239362 (E_RNA)
where:
Base-Base interactions energy: -490.255
where: short stacking energy: -196.536
Base-Backbone interact. energy: -0.985
local terms energy: -227.999587
where:
bonds (distance) C4'-P energy: -42.118
bonds (distance) P-C4' energy: -45.773
flat angles C4'-P-C4' energy: -50.459
flat angles P-C4'-P energy: -32.198
tors. eta vs tors. theta energy: -57.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -708.482234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.482234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.482234 (E_RNA)
where:
Base-Base interactions energy: -476.841
where: short stacking energy: -189.072
Base-Backbone interact. energy: -0.159
local terms energy: -231.482067
where:
bonds (distance) C4'-P energy: -40.773
bonds (distance) P-C4' energy: -47.230
flat angles C4'-P-C4' energy: -54.145
flat angles P-C4'-P energy: -36.811
tors. eta vs tors. theta energy: -52.523
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: 9, replica: 9
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -485.486713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.486713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.486713 (E_RNA)
where:
Base-Base interactions energy: -288.836
where: short stacking energy: -136.062
Base-Backbone interact. energy: -0.196
local terms energy: -196.454430
where:
bonds (distance) C4'-P energy: -50.582
bonds (distance) P-C4' energy: -53.151
flat angles C4'-P-C4' energy: -46.851
flat angles P-C4'-P energy: -27.625
tors. eta vs tors. theta energy: -18.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -213.971792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.971792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.971792 (E_RNA)
where:
Base-Base interactions energy: -89.209
where: short stacking energy: -75.894
Base-Backbone interact. energy: 6.868
local terms energy: -131.630550
where:
bonds (distance) C4'-P energy: -37.975
bonds (distance) P-C4' energy: -46.878
flat angles C4'-P-C4' energy: -32.753
flat angles P-C4'-P energy: -18.341
tors. eta vs tors. theta energy: 4.317
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: 1, replica: 1
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -965.876057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.876057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.876057 (E_RNA)
where:
Base-Base interactions energy: -670.616
where: short stacking energy: -300.589
Base-Backbone interact. energy: 0.188
local terms energy: -295.447812
where:
bonds (distance) C4'-P energy: -52.445
bonds (distance) P-C4' energy: -47.060
flat angles C4'-P-C4' energy: -64.808
flat angles P-C4'-P energy: -38.707
tors. eta vs tors. theta energy: -92.428
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: 231
Temperature: 0.950000
Total energy: -918.342466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.342466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.342466 (E_RNA)
where:
Base-Base interactions energy: -639.338
where: short stacking energy: -267.474
Base-Backbone interact. energy: -2.468
local terms energy: -276.536345
where:
bonds (distance) C4'-P energy: -57.355
bonds (distance) P-C4' energy: -46.720
flat angles C4'-P-C4' energy: -61.349
flat angles P-C4'-P energy: -36.606
tors. eta vs tors. theta energy: -74.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -873.817978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.817978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.817978 (E_RNA)
where:
Base-Base interactions energy: -605.430
where: short stacking energy: -268.975
Base-Backbone interact. energy: -0.610
local terms energy: -267.778079
where:
bonds (distance) C4'-P energy: -43.314
bonds (distance) P-C4' energy: -53.959
flat angles C4'-P-C4' energy: -56.894
flat angles P-C4'-P energy: -39.558
tors. eta vs tors. theta energy: -74.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -846.736202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.736202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.736202 (E_RNA)
where:
Base-Base interactions energy: -588.507
where: short stacking energy: -241.766
Base-Backbone interact. energy: -1.281
local terms energy: -256.948217
where:
bonds (distance) C4'-P energy: -52.935
bonds (distance) P-C4' energy: -46.480
flat angles C4'-P-C4' energy: -52.113
flat angles P-C4'-P energy: -34.431
tors. eta vs tors. theta energy: -70.989
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: 5, replica: 8
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -794.011706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.011706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.011706 (E_RNA)
where:
Base-Base interactions energy: -541.569
where: short stacking energy: -223.530
Base-Backbone interact. energy: 0.376
local terms energy: -252.818599
where:
bonds (distance) C4'-P energy: -51.764
bonds (distance) P-C4' energy: -43.069
flat angles C4'-P-C4' energy: -54.258
flat angles P-C4'-P energy: -32.445
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: 6, replica: 4
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -736.701424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.701424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.701424 (E_RNA)
where:
Base-Base interactions energy: -494.613
where: short stacking energy: -213.794
Base-Backbone interact. energy: -1.537
local terms energy: -240.551198
where:
bonds (distance) C4'-P energy: -55.499
bonds (distance) P-C4' energy: -44.829
flat angles C4'-P-C4' energy: -56.934
flat angles P-C4'-P energy: -30.487
tors. eta vs tors. theta energy: -52.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -711.274585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.274585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.274585 (E_RNA)
where:
Base-Base interactions energy: -485.232
where: short stacking energy: -202.512
Base-Backbone interact. energy: -0.608
local terms energy: -225.434614
where:
bonds (distance) C4'-P energy: -40.658
bonds (distance) P-C4' energy: -48.050
flat angles C4'-P-C4' energy: -45.059
flat angles P-C4'-P energy: -37.447
tors. eta vs tors. theta energy: -54.220
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: 231
Temperature: 1.250000
Total energy: -707.025984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.025984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.025984 (E_RNA)
where:
Base-Base interactions energy: -474.840
where: short stacking energy: -195.220
Base-Backbone interact. energy: 0.414
local terms energy: -232.599765
where:
bonds (distance) C4'-P energy: -47.535
bonds (distance) P-C4' energy: -50.482
flat angles C4'-P-C4' energy: -59.975
flat angles P-C4'-P energy: -24.786
tors. eta vs tors. theta energy: -49.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -488.176099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.176099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.176099 (E_RNA)
where:
Base-Base interactions energy: -293.137
where: short stacking energy: -138.799
Base-Backbone interact. energy: -1.933
local terms energy: -193.105780
where:
bonds (distance) C4'-P energy: -47.398
bonds (distance) P-C4' energy: -43.762
flat angles C4'-P-C4' energy: -49.684
flat angles P-C4'-P energy: -25.796
tors. eta vs tors. theta energy: -26.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -219.208248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.208248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.208248 (E_RNA)
where:
Base-Base interactions energy: -82.030
where: short stacking energy: -76.338
Base-Backbone interact. energy: -0.091
local terms energy: -137.087314
where:
bonds (distance) C4'-P energy: -36.603
bonds (distance) P-C4' energy: -54.227
flat angles C4'-P-C4' energy: -34.308
flat angles P-C4'-P energy: -14.129
tors. eta vs tors. theta energy: 2.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -952.085130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.085130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.085130 (E_RNA)
where:
Base-Base interactions energy: -649.489
where: short stacking energy: -279.349
Base-Backbone interact. energy: -0.611
local terms energy: -301.985275
where:
bonds (distance) C4'-P energy: -53.516
bonds (distance) P-C4' energy: -58.393
flat angles C4'-P-C4' energy: -60.260
flat angles P-C4'-P energy: -44.195
tors. eta vs tors. theta energy: -85.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -908.392942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.392942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.392942 (E_RNA)
where:
Base-Base interactions energy: -640.242
where: short stacking energy: -260.270
Base-Backbone interact. energy: -0.287
local terms energy: -267.864779
where:
bonds (distance) C4'-P energy: -48.758
bonds (distance) P-C4' energy: -52.536
flat angles C4'-P-C4' energy: -58.733
flat angles P-C4'-P energy: -36.398
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: 3, replica: 5
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -844.645260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.645260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.645260 (E_RNA)
where:
Base-Base interactions energy: -585.586
where: short stacking energy: -246.239
Base-Backbone interact. energy: -1.403
local terms energy: -257.656220
where:
bonds (distance) C4'-P energy: -54.127
bonds (distance) P-C4' energy: -48.018
flat angles C4'-P-C4' energy: -53.473
flat angles P-C4'-P energy: -34.837
tors. eta vs tors. theta energy: -67.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -801.854625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.854625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.854625 (E_RNA)
where:
Base-Base interactions energy: -552.758
where: short stacking energy: -225.241
Base-Backbone interact. energy: -1.309
local terms energy: -247.787801
where:
bonds (distance) C4'-P energy: -49.481
bonds (distance) P-C4' energy: -36.008
flat angles C4'-P-C4' energy: -55.502
flat angles P-C4'-P energy: -36.645
tors. eta vs tors. theta energy: -70.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -796.896219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.896219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.896219 (E_RNA)
where:
Base-Base interactions energy: -530.906
where: short stacking energy: -228.484
Base-Backbone interact. energy: -0.427
local terms energy: -265.563313
where:
bonds (distance) C4'-P energy: -52.244
bonds (distance) P-C4' energy: -56.633
flat angles C4'-P-C4' energy: -49.837
flat angles P-C4'-P energy: -43.817
tors. eta vs tors. theta energy: -63.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -748.104528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.104528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.104528 (E_RNA)
where:
Base-Base interactions energy: -505.494
where: short stacking energy: -209.260
Base-Backbone interact. energy: 0.932
local terms energy: -243.542938
where:
bonds (distance) C4'-P energy: -49.198
bonds (distance) P-C4' energy: -45.421
flat angles C4'-P-C4' energy: -59.403
flat angles P-C4'-P energy: -32.843
tors. eta vs tors. theta energy: -56.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -717.213266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.213266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.213266 (E_RNA)
where:
Base-Base interactions energy: -501.940
where: short stacking energy: -208.938
Base-Backbone interact. energy: -0.760
local terms energy: -214.512687
where:
bonds (distance) C4'-P energy: -34.417
bonds (distance) P-C4' energy: -47.153
flat angles C4'-P-C4' energy: -44.865
flat angles P-C4'-P energy: -32.580
tors. eta vs tors. theta energy: -55.498
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: 10
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -696.803947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.803947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.803947 (E_RNA)
where:
Base-Base interactions energy: -476.048
where: short stacking energy: -194.848
Base-Backbone interact. energy: -0.678
local terms energy: -220.078083
where:
bonds (distance) C4'-P energy: -41.783
bonds (distance) P-C4' energy: -42.491
flat angles C4'-P-C4' energy: -44.318
flat angles P-C4'-P energy: -39.364
tors. eta vs tors. theta energy: -52.121
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: 9, replica: 9
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -460.359429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.359429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.359429 (E_RNA)
where:
Base-Base interactions energy: -256.563
where: short stacking energy: -132.186
Base-Backbone interact. energy: -1.345
local terms energy: -202.450807
where:
bonds (distance) C4'-P energy: -54.948
bonds (distance) P-C4' energy: -46.582
flat angles C4'-P-C4' energy: -48.753
flat angles P-C4'-P energy: -25.820
tors. eta vs tors. theta energy: -26.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -269.402057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.402057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.402057 (E_RNA)
where:
Base-Base interactions energy: -117.444
where: short stacking energy: -57.274
Base-Backbone interact. energy: -1.408
local terms energy: -150.549817
where:
bonds (distance) C4'-P energy: -38.956
bonds (distance) P-C4' energy: -54.760
flat angles C4'-P-C4' energy: -41.078
flat angles P-C4'-P energy: -28.096
tors. eta vs tors. theta energy: 12.340
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: 1
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -955.225807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.225807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.225807 (E_RNA)
where:
Base-Base interactions energy: -670.969
where: short stacking energy: -296.842
Base-Backbone interact. energy: -1.501
local terms energy: -282.756677
where:
bonds (distance) C4'-P energy: -54.915
bonds (distance) P-C4' energy: -51.520
flat angles C4'-P-C4' energy: -53.445
flat angles P-C4'-P energy: -38.494
tors. eta vs tors. theta energy: -84.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -920.036419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.036419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.036419 (E_RNA)
where:
Base-Base interactions energy: -644.271
where: short stacking energy: -265.772
Base-Backbone interact. energy: -1.909
local terms energy: -273.856394
where:
bonds (distance) C4'-P energy: -46.683
bonds (distance) P-C4' energy: -51.343
flat angles C4'-P-C4' energy: -56.410
flat angles P-C4'-P energy: -43.459
tors. eta vs tors. theta energy: -75.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -836.873776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.873776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.873776 (E_RNA)
where:
Base-Base interactions energy: -579.317
where: short stacking energy: -251.515
Base-Backbone interact. energy: 0.284
local terms energy: -257.840503
where:
bonds (distance) C4'-P energy: -52.957
bonds (distance) P-C4' energy: -47.375
flat angles C4'-P-C4' energy: -50.355
flat angles P-C4'-P energy: -33.917
tors. eta vs tors. theta energy: -73.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -809.707312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.707312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.707312 (E_RNA)
where:
Base-Base interactions energy: -544.051
where: short stacking energy: -235.694
Base-Backbone interact. energy: -1.309
local terms energy: -264.347875
where:
bonds (distance) C4'-P energy: -47.455
bonds (distance) P-C4' energy: -50.862
flat angles C4'-P-C4' energy: -64.356
flat angles P-C4'-P energy: -33.262
tors. eta vs tors. theta energy: -68.413
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: 8
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -811.359607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.359607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.359607 (E_RNA)
where:
Base-Base interactions energy: -548.567
where: short stacking energy: -229.427
Base-Backbone interact. energy: 1.765
local terms energy: -264.557641
where:
bonds (distance) C4'-P energy: -50.810
bonds (distance) P-C4' energy: -52.616
flat angles C4'-P-C4' energy: -55.711
flat angles P-C4'-P energy: -34.448
tors. eta vs tors. theta energy: -70.972
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: 7
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -756.148294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.148294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.148294 (E_RNA)
where:
Base-Base interactions energy: -524.470
where: short stacking energy: -220.685
Base-Backbone interact. energy: -0.695
local terms energy: -230.983559
where:
bonds (distance) C4'-P energy: -41.484
bonds (distance) P-C4' energy: -53.651
flat angles C4'-P-C4' energy: -48.039
flat angles P-C4'-P energy: -27.758
tors. eta vs tors. theta energy: -60.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -731.056581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.056581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.056581 (E_RNA)
where:
Base-Base interactions energy: -484.015
where: short stacking energy: -200.789
Base-Backbone interact. energy: -2.448
local terms energy: -244.593266
where:
bonds (distance) C4'-P energy: -56.814
bonds (distance) P-C4' energy: -39.726
flat angles C4'-P-C4' energy: -52.558
flat angles P-C4'-P energy: -38.841
tors. eta vs tors. theta energy: -56.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -676.952932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.952932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.952932 (E_RNA)
where:
Base-Base interactions energy: -447.224
where: short stacking energy: -193.889
Base-Backbone interact. energy: -0.575
local terms energy: -229.153691
where:
bonds (distance) C4'-P energy: -44.023
bonds (distance) P-C4' energy: -51.969
flat angles C4'-P-C4' energy: -41.060
flat angles P-C4'-P energy: -39.554
tors. eta vs tors. theta energy: -52.548
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: 9
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -441.128927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.128927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.128927 (E_RNA)
where:
Base-Base interactions energy: -262.948
where: short stacking energy: -123.922
Base-Backbone interact. energy: -0.816
local terms energy: -177.364434
where:
bonds (distance) C4'-P energy: -49.729
bonds (distance) P-C4' energy: -39.962
flat angles C4'-P-C4' energy: -44.128
flat angles P-C4'-P energy: -24.481
tors. eta vs tors. theta energy: -19.064
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: 6
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -229.491036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.491036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.491036 (E_RNA)
where:
Base-Base interactions energy: -65.862
where: short stacking energy: -58.064
Base-Backbone interact. energy: -0.216
local terms energy: -163.413051
where:
bonds (distance) C4'-P energy: -44.993
bonds (distance) P-C4' energy: -48.557
flat angles C4'-P-C4' energy: -39.877
flat angles P-C4'-P energy: -29.197
tors. eta vs tors. theta energy: -0.789
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: 1
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -967.905717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.905717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.905717 (E_RNA)
where:
Base-Base interactions energy: -652.040
where: short stacking energy: -282.362
Base-Backbone interact. energy: -1.065
local terms energy: -314.801028
where:
bonds (distance) C4'-P energy: -56.637
bonds (distance) P-C4' energy: -58.482
flat angles C4'-P-C4' energy: -64.519
flat angles P-C4'-P energy: -45.045
tors. eta vs tors. theta energy: -90.118
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: 2
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -940.432073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.432073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.432073 (E_RNA)
where:
Base-Base interactions energy: -659.818
where: short stacking energy: -275.484
Base-Backbone interact. energy: 0.440
local terms energy: -281.053749
where:
bonds (distance) C4'-P energy: -46.936
bonds (distance) P-C4' energy: -54.160
flat angles C4'-P-C4' energy: -56.948
flat angles P-C4'-P energy: -41.714
tors. eta vs tors. theta energy: -81.297
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: 5
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -866.273758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.273758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.273758 (E_RNA)
where:
Base-Base interactions energy: -597.383
where: short stacking energy: -253.438
Base-Backbone interact. energy: -1.898
local terms energy: -266.992593
where:
bonds (distance) C4'-P energy: -45.791
bonds (distance) P-C4' energy: -60.008
flat angles C4'-P-C4' energy: -56.937
flat angles P-C4'-P energy: -32.297
tors. eta vs tors. theta energy: -71.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -821.354502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.354502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.354502 (E_RNA)
where:
Base-Base interactions energy: -583.221
where: short stacking energy: -245.175
Base-Backbone interact. energy: 0.681
local terms energy: -238.814687
where:
bonds (distance) C4'-P energy: -42.691
bonds (distance) P-C4' energy: -49.197
flat angles C4'-P-C4' energy: -52.944
flat angles P-C4'-P energy: -28.699
tors. eta vs tors. theta energy: -65.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -804.345513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.345513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.345513 (E_RNA)
where:
Base-Base interactions energy: -551.514
where: short stacking energy: -238.613
Base-Backbone interact. energy: -0.514
local terms energy: -252.316958
where:
bonds (distance) C4'-P energy: -45.505
bonds (distance) P-C4' energy: -49.964
flat angles C4'-P-C4' energy: -52.234
flat angles P-C4'-P energy: -38.625
tors. eta vs tors. theta energy: -65.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -761.573492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.573492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.573492 (E_RNA)
where:
Base-Base interactions energy: -530.862
where: short stacking energy: -204.952
Base-Backbone interact. energy: -0.735
local terms energy: -229.975848
where:
bonds (distance) C4'-P energy: -41.004
bonds (distance) P-C4' energy: -43.887
flat angles C4'-P-C4' energy: -57.602
flat angles P-C4'-P energy: -28.807
tors. eta vs tors. theta energy: -58.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -753.389080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.389080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.389080 (E_RNA)
where:
Base-Base interactions energy: -516.923
where: short stacking energy: -215.885
Base-Backbone interact. energy: -0.443
local terms energy: -236.023127
where:
bonds (distance) C4'-P energy: -41.753
bonds (distance) P-C4' energy: -41.405
flat angles C4'-P-C4' energy: -50.899
flat angles P-C4'-P energy: -40.070
tors. eta vs tors. theta energy: -61.895
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: 10
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -667.857368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.857368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.857368 (E_RNA)
where:
Base-Base interactions energy: -434.539
where: short stacking energy: -182.123
Base-Backbone interact. energy: -0.644
local terms energy: -232.674537
where:
bonds (distance) C4'-P energy: -56.856
bonds (distance) P-C4' energy: -51.255
flat angles C4'-P-C4' energy: -45.524
flat angles P-C4'-P energy: -29.130
tors. eta vs tors. theta energy: -49.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -459.686076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.686076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.686076 (E_RNA)
where:
Base-Base interactions energy: -273.793
where: short stacking energy: -144.786
Base-Backbone interact. energy: 1.931
local terms energy: -187.824584
where:
bonds (distance) C4'-P energy: -38.219
bonds (distance) P-C4' energy: -45.733
flat angles C4'-P-C4' energy: -51.177
flat angles P-C4'-P energy: -24.625
tors. eta vs tors. theta energy: -28.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -217.559385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.559385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.559385 (E_RNA)
where:
Base-Base interactions energy: -75.895
where: short stacking energy: -48.636
Base-Backbone interact. energy: -0.559
local terms energy: -141.105908
where:
bonds (distance) C4'-P energy: -46.459
bonds (distance) P-C4' energy: -48.490
flat angles C4'-P-C4' energy: -40.922
flat angles P-C4'-P energy: -22.051
tors. eta vs tors. theta energy: 16.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -962.286706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.286706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.286706 (E_RNA)
where:
Base-Base interactions energy: -669.343
where: short stacking energy: -306.573
Base-Backbone interact. energy: -0.111
local terms energy: -292.833005
where:
bonds (distance) C4'-P energy: -46.273
bonds (distance) P-C4' energy: -48.726
flat angles C4'-P-C4' energy: -63.720
flat angles P-C4'-P energy: -43.998
tors. eta vs tors. theta energy: -90.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -934.143203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.143203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.143203 (E_RNA)
where:
Base-Base interactions energy: -666.464
where: short stacking energy: -274.236
Base-Backbone interact. energy: -1.080
local terms energy: -266.598978
where:
bonds (distance) C4'-P energy: -46.325
bonds (distance) P-C4' energy: -52.606
flat angles C4'-P-C4' energy: -46.962
flat angles P-C4'-P energy: -41.467
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: 5
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -857.469629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.469629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.469629 (E_RNA)
where:
Base-Base interactions energy: -586.131
where: short stacking energy: -229.987
Base-Backbone interact. energy: -0.908
local terms energy: -270.430933
where:
bonds (distance) C4'-P energy: -51.982
bonds (distance) P-C4' energy: -53.082
flat angles C4'-P-C4' energy: -62.175
flat angles P-C4'-P energy: -39.136
tors. eta vs tors. theta energy: -64.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -856.413523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.413523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.413523 (E_RNA)
where:
Base-Base interactions energy: -597.967
where: short stacking energy: -243.009
Base-Backbone interact. energy: -0.614
local terms energy: -257.832954
where:
bonds (distance) C4'-P energy: -44.886
bonds (distance) P-C4' energy: -47.783
flat angles C4'-P-C4' energy: -55.572
flat angles P-C4'-P energy: -43.132
tors. eta vs tors. theta energy: -66.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -802.486199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.486199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.486199 (E_RNA)
where:
Base-Base interactions energy: -569.527
where: short stacking energy: -236.749
Base-Backbone interact. energy: 2.959
local terms energy: -235.917361
where:
bonds (distance) C4'-P energy: -39.982
bonds (distance) P-C4' energy: -44.959
flat angles C4'-P-C4' energy: -56.513
flat angles P-C4'-P energy: -32.425
tors. eta vs tors. theta energy: -62.038
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: 7
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -747.039435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.039435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.039435 (E_RNA)
where:
Base-Base interactions energy: -525.835
where: short stacking energy: -217.702
Base-Backbone interact. energy: -1.160
local terms energy: -220.044242
where:
bonds (distance) C4'-P energy: -46.070
bonds (distance) P-C4' energy: -43.631
flat angles C4'-P-C4' energy: -44.849
flat angles P-C4'-P energy: -29.931
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: 4
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -752.450540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.450540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.450540 (E_RNA)
where:
Base-Base interactions energy: -511.070
where: short stacking energy: -220.086
Base-Backbone interact. energy: 0.107
local terms energy: -241.487328
where:
bonds (distance) C4'-P energy: -46.495
bonds (distance) P-C4' energy: -43.504
flat angles C4'-P-C4' energy: -51.243
flat angles P-C4'-P energy: -33.657
tors. eta vs tors. theta energy: -66.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -681.993164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.993164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.993164 (E_RNA)
where:
Base-Base interactions energy: -464.564
where: short stacking energy: -183.315
Base-Backbone interact. energy: 0.719
local terms energy: -218.148094
where:
bonds (distance) C4'-P energy: -46.182
bonds (distance) P-C4' energy: -52.409
flat angles C4'-P-C4' energy: -37.071
flat angles P-C4'-P energy: -27.930
tors. eta vs tors. theta energy: -54.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -457.889654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.889654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.889654 (E_RNA)
where:
Base-Base interactions energy: -283.350
where: short stacking energy: -132.311
Base-Backbone interact. energy: -0.166
local terms energy: -174.373076
where:
bonds (distance) C4'-P energy: -38.097
bonds (distance) P-C4' energy: -48.715
flat angles C4'-P-C4' energy: -44.937
flat angles P-C4'-P energy: -17.464
tors. eta vs tors. theta energy: -25.161
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: 6
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -219.749217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.749217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.749217 (E_RNA)
where:
Base-Base interactions energy: -70.776
where: short stacking energy: -64.917
Base-Backbone interact. energy: -0.484
local terms energy: -148.489224
where:
bonds (distance) C4'-P energy: -41.409
bonds (distance) P-C4' energy: -50.714
flat angles C4'-P-C4' energy: -33.878
flat angles P-C4'-P energy: -23.345
tors. eta vs tors. theta energy: 0.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -965.529859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.529859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.529859 (E_RNA)
where:
Base-Base interactions energy: -662.150
where: short stacking energy: -290.635
Base-Backbone interact. energy: -1.323
local terms energy: -302.057035
where:
bonds (distance) C4'-P energy: -49.726
bonds (distance) P-C4' energy: -52.623
flat angles C4'-P-C4' energy: -63.435
flat angles P-C4'-P energy: -49.006
tors. eta vs tors. theta energy: -87.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -926.263528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.263528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.263528 (E_RNA)
where:
Base-Base interactions energy: -648.885
where: short stacking energy: -259.147
Base-Backbone interact. energy: -1.395
local terms energy: -275.983977
where:
bonds (distance) C4'-P energy: -45.338
bonds (distance) P-C4' energy: -58.634
flat angles C4'-P-C4' energy: -55.601
flat angles P-C4'-P energy: -45.111
tors. eta vs tors. theta energy: -71.300
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: 8
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -867.920628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.920628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.920628 (E_RNA)
where:
Base-Base interactions energy: -606.122
where: short stacking energy: -262.806
Base-Backbone interact. energy: -0.703
local terms energy: -261.095115
where:
bonds (distance) C4'-P energy: -48.352
bonds (distance) P-C4' energy: -43.740
flat angles C4'-P-C4' energy: -62.222
flat angles P-C4'-P energy: -31.010
tors. eta vs tors. theta energy: -75.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -853.330693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.330693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.330693 (E_RNA)
where:
Base-Base interactions energy: -588.011
where: short stacking energy: -262.882
Base-Backbone interact. energy: -0.092
local terms energy: -265.227838
where:
bonds (distance) C4'-P energy: -48.374
bonds (distance) P-C4' energy: -47.090
flat angles C4'-P-C4' energy: -50.255
flat angles P-C4'-P energy: -41.897
tors. eta vs tors. theta energy: -77.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -811.867642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.867642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.867642 (E_RNA)
where:
Base-Base interactions energy: -573.834
where: short stacking energy: -229.463
Base-Backbone interact. energy: -0.573
local terms energy: -237.460954
where:
bonds (distance) C4'-P energy: -44.053
bonds (distance) P-C4' energy: -41.906
flat angles C4'-P-C4' energy: -56.290
flat angles P-C4'-P energy: -36.619
tors. eta vs tors. theta energy: -58.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -751.719164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.719164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.719164 (E_RNA)
where:
Base-Base interactions energy: -513.488
where: short stacking energy: -212.966
Base-Backbone interact. energy: -0.753
local terms energy: -237.477355
where:
bonds (distance) C4'-P energy: -43.655
bonds (distance) P-C4' energy: -53.143
flat angles C4'-P-C4' energy: -52.254
flat angles P-C4'-P energy: -26.742
tors. eta vs tors. theta energy: -61.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -753.957687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.957687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.957687 (E_RNA)
where:
Base-Base interactions energy: -514.263
where: short stacking energy: -219.618
Base-Backbone interact. energy: -1.076
local terms energy: -238.618618
where:
bonds (distance) C4'-P energy: -33.527
bonds (distance) P-C4' energy: -49.608
flat angles C4'-P-C4' energy: -49.354
flat angles P-C4'-P energy: -30.271
tors. eta vs tors. theta energy: -75.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -718.413807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.413807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.413807 (E_RNA)
where:
Base-Base interactions energy: -483.099
where: short stacking energy: -188.387
Base-Backbone interact. energy: -2.059
local terms energy: -233.255234
where:
bonds (distance) C4'-P energy: -45.933
bonds (distance) P-C4' energy: -55.510
flat angles C4'-P-C4' energy: -54.487
flat angles P-C4'-P energy: -29.854
tors. eta vs tors. theta energy: -47.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -497.814953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.814953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.814953 (E_RNA)
where:
Base-Base interactions energy: -288.877
where: short stacking energy: -143.064
Base-Backbone interact. energy: -1.613
local terms energy: -207.324166
where:
bonds (distance) C4'-P energy: -46.420
bonds (distance) P-C4' energy: -46.229
flat angles C4'-P-C4' energy: -41.799
flat angles P-C4'-P energy: -35.456
tors. eta vs tors. theta energy: -37.421
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: 10, replica: 6
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -223.112232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.112232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.112232 (E_RNA)
where:
Base-Base interactions energy: -91.923
where: short stacking energy: -66.772
Base-Backbone interact. energy: -0.369
local terms energy: -130.820447
where:
bonds (distance) C4'-P energy: -45.700
bonds (distance) P-C4' energy: -46.516
flat angles C4'-P-C4' energy: -30.162
flat angles P-C4'-P energy: -16.262
tors. eta vs tors. theta energy: 7.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -960.216120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.216120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.216120 (E_RNA)
where:
Base-Base interactions energy: -680.923
where: short stacking energy: -294.579
Base-Backbone interact. energy: -0.500
local terms energy: -278.793007
where:
bonds (distance) C4'-P energy: -49.710
bonds (distance) P-C4' energy: -49.933
flat angles C4'-P-C4' energy: -53.354
flat angles P-C4'-P energy: -42.168
tors. eta vs tors. theta energy: -83.628
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: 237
Temperature: 0.950000
Total energy: -920.495545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.495545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.495545 (E_RNA)
where:
Base-Base interactions energy: -652.692
where: short stacking energy: -268.344
Base-Backbone interact. energy: -1.001
local terms energy: -266.802738
where:
bonds (distance) C4'-P energy: -44.744
bonds (distance) P-C4' energy: -47.922
flat angles C4'-P-C4' energy: -56.435
flat angles P-C4'-P energy: -42.290
tors. eta vs tors. theta energy: -75.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -870.829527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.829527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.829527 (E_RNA)
where:
Base-Base interactions energy: -593.134
where: short stacking energy: -255.934
Base-Backbone interact. energy: -1.095
local terms energy: -276.600280
where:
bonds (distance) C4'-P energy: -39.992
bonds (distance) P-C4' energy: -60.492
flat angles C4'-P-C4' energy: -63.830
flat angles P-C4'-P energy: -34.262
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: 4, replica: 5
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -816.018537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.018537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.018537 (E_RNA)
where:
Base-Base interactions energy: -562.240
where: short stacking energy: -251.223
Base-Backbone interact. energy: -1.096
local terms energy: -252.682393
where:
bonds (distance) C4'-P energy: -47.554
bonds (distance) P-C4' energy: -51.983
flat angles C4'-P-C4' energy: -50.454
flat angles P-C4'-P energy: -37.180
tors. eta vs tors. theta energy: -65.511
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: 3
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -795.690980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.690980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.690980 (E_RNA)
where:
Base-Base interactions energy: -555.319
where: short stacking energy: -231.544
Base-Backbone interact. energy: 0.117
local terms energy: -240.489407
where:
bonds (distance) C4'-P energy: -45.153
bonds (distance) P-C4' energy: -43.065
flat angles C4'-P-C4' energy: -46.291
flat angles P-C4'-P energy: -41.170
tors. eta vs tors. theta energy: -64.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -781.740738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.740738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.740738 (E_RNA)
where:
Base-Base interactions energy: -518.669
where: short stacking energy: -219.110
Base-Backbone interact. energy: -0.010
local terms energy: -263.062107
where:
bonds (distance) C4'-P energy: -57.119
bonds (distance) P-C4' energy: -57.031
flat angles C4'-P-C4' energy: -49.725
flat angles P-C4'-P energy: -35.372
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: 7, replica: 7
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -744.803954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.803954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.803954 (E_RNA)
where:
Base-Base interactions energy: -514.060
where: short stacking energy: -202.893
Base-Backbone interact. energy: 0.301
local terms energy: -231.045056
where:
bonds (distance) C4'-P energy: -41.324
bonds (distance) P-C4' energy: -49.613
flat angles C4'-P-C4' energy: -55.548
flat angles P-C4'-P energy: -26.092
tors. eta vs tors. theta energy: -58.468
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: 237
Temperature: 1.250000
Total energy: -678.862139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.862139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.862139 (E_RNA)
where:
Base-Base interactions energy: -436.930
where: short stacking energy: -174.101
Base-Backbone interact. energy: -1.583
local terms energy: -240.349483
where:
bonds (distance) C4'-P energy: -48.369
bonds (distance) P-C4' energy: -56.197
flat angles C4'-P-C4' energy: -52.310
flat angles P-C4'-P energy: -31.813
tors. eta vs tors. theta energy: -51.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -447.944186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.944186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.944186 (E_RNA)
where:
Base-Base interactions energy: -254.290
where: short stacking energy: -129.956
Base-Backbone interact. energy: -0.695
local terms energy: -192.959757
where:
bonds (distance) C4'-P energy: -51.637
bonds (distance) P-C4' energy: -41.875
flat angles C4'-P-C4' energy: -44.507
flat angles P-C4'-P energy: -33.185
tors. eta vs tors. theta energy: -21.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -207.626731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.626731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.626731 (E_RNA)
where:
Base-Base interactions energy: -66.433
where: short stacking energy: -50.051
Base-Backbone interact. energy: -2.313
local terms energy: -138.881500
where:
bonds (distance) C4'-P energy: -49.184
bonds (distance) P-C4' energy: -52.947
flat angles C4'-P-C4' energy: -35.307
flat angles P-C4'-P energy: -17.274
tors. eta vs tors. theta energy: 15.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -932.061017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.061017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.061017 (E_RNA)
where:
Base-Base interactions energy: -644.064
where: short stacking energy: -274.790
Base-Backbone interact. energy: -1.391
local terms energy: -286.605479
where:
bonds (distance) C4'-P energy: -49.986
bonds (distance) P-C4' energy: -60.465
flat angles C4'-P-C4' energy: -61.191
flat angles P-C4'-P energy: -31.093
tors. eta vs tors. theta energy: -83.871
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: 238
Temperature: 0.950000
Total energy: -938.596631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.596631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.596631 (E_RNA)
where:
Base-Base interactions energy: -652.171
where: short stacking energy: -285.178
Base-Backbone interact. energy: -0.398
local terms energy: -286.026998
where:
bonds (distance) C4'-P energy: -43.582
bonds (distance) P-C4' energy: -56.731
flat angles C4'-P-C4' energy: -58.894
flat angles P-C4'-P energy: -41.097
tors. eta vs tors. theta energy: -85.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -871.745347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.745347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.745347 (E_RNA)
where:
Base-Base interactions energy: -606.926
where: short stacking energy: -273.241
Base-Backbone interact. energy: -0.859
local terms energy: -263.960478
where:
bonds (distance) C4'-P energy: -38.294
bonds (distance) P-C4' energy: -47.374
flat angles C4'-P-C4' energy: -60.380
flat angles P-C4'-P energy: -36.843
tors. eta vs tors. theta energy: -81.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -822.072816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.072816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.072816 (E_RNA)
where:
Base-Base interactions energy: -569.040
where: short stacking energy: -246.975
Base-Backbone interact. energy: -0.637
local terms energy: -252.396468
where:
bonds (distance) C4'-P energy: -47.529
bonds (distance) P-C4' energy: -46.979
flat angles C4'-P-C4' energy: -54.867
flat angles P-C4'-P energy: -42.212
tors. eta vs tors. theta energy: -60.809
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: 4
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -798.045347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.045347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.045347 (E_RNA)
where:
Base-Base interactions energy: -560.868
where: short stacking energy: -242.250
Base-Backbone interact. energy: 1.176
local terms energy: -238.353615
where:
bonds (distance) C4'-P energy: -38.341
bonds (distance) P-C4' energy: -51.422
flat angles C4'-P-C4' energy: -44.608
flat angles P-C4'-P energy: -38.758
tors. eta vs tors. theta energy: -65.225
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: 3
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -777.213592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.213592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.213592 (E_RNA)
where:
Base-Base interactions energy: -548.688
where: short stacking energy: -222.410
Base-Backbone interact. energy: -0.668
local terms energy: -227.857651
where:
bonds (distance) C4'-P energy: -36.240
bonds (distance) P-C4' energy: -55.996
flat angles C4'-P-C4' energy: -56.833
flat angles P-C4'-P energy: -21.768
tors. eta vs tors. theta energy: -57.020
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: 7, replica: 7
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -738.646358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.646358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.646358 (E_RNA)
where:
Base-Base interactions energy: -531.175
where: short stacking energy: -216.450
Base-Backbone interact. energy: 1.926
local terms energy: -209.398083
where:
bonds (distance) C4'-P energy: -42.366
bonds (distance) P-C4' energy: -33.822
flat angles C4'-P-C4' energy: -48.875
flat angles P-C4'-P energy: -27.656
tors. eta vs tors. theta energy: -56.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -688.303377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.303377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.303377 (E_RNA)
where:
Base-Base interactions energy: -474.627
where: short stacking energy: -188.047
Base-Backbone interact. energy: -1.595
local terms energy: -212.081151
where:
bonds (distance) C4'-P energy: -35.082
bonds (distance) P-C4' energy: -50.871
flat angles C4'-P-C4' energy: -52.185
flat angles P-C4'-P energy: -27.432
tors. eta vs tors. theta energy: -46.510
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: 9
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -459.932037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.932037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.932037 (E_RNA)
where:
Base-Base interactions energy: -293.050
where: short stacking energy: -137.866
Base-Backbone interact. energy: 3.092
local terms energy: -169.973600
where:
bonds (distance) C4'-P energy: -40.399
bonds (distance) P-C4' energy: -38.269
flat angles C4'-P-C4' energy: -40.677
flat angles P-C4'-P energy: -29.422
tors. eta vs tors. theta energy: -21.208
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: 6
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -227.641043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.641043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.641043 (E_RNA)
where:
Base-Base interactions energy: -81.330
where: short stacking energy: -68.951
Base-Backbone interact. energy: 0.098
local terms energy: -146.409532
where:
bonds (distance) C4'-P energy: -51.598
bonds (distance) P-C4' energy: -32.537
flat angles C4'-P-C4' energy: -34.984
flat angles P-C4'-P energy: -28.273
tors. eta vs tors. theta energy: 0.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -965.729035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.729035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.729035 (E_RNA)
where:
Base-Base interactions energy: -690.989
where: short stacking energy: -282.424
Base-Backbone interact. energy: 0.133
local terms energy: -274.873673
where:
bonds (distance) C4'-P energy: -46.585
bonds (distance) P-C4' energy: -58.670
flat angles C4'-P-C4' energy: -52.656
flat angles P-C4'-P energy: -38.814
tors. eta vs tors. theta energy: -78.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -937.372377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.372377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.372377 (E_RNA)
where:
Base-Base interactions energy: -635.948
where: short stacking energy: -296.741
Base-Backbone interact. energy: -0.212
local terms energy: -301.212592
where:
bonds (distance) C4'-P energy: -50.139
bonds (distance) P-C4' energy: -53.363
flat angles C4'-P-C4' energy: -62.134
flat angles P-C4'-P energy: -45.060
tors. eta vs tors. theta energy: -90.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -871.054303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.054303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.054303 (E_RNA)
where:
Base-Base interactions energy: -605.594
where: short stacking energy: -231.686
Base-Backbone interact. energy: -1.475
local terms energy: -263.985150
where:
bonds (distance) C4'-P energy: -54.948
bonds (distance) P-C4' energy: -50.420
flat angles C4'-P-C4' energy: -46.415
flat angles P-C4'-P energy: -44.966
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: 4
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -844.915542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.915542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.915542 (E_RNA)
where:
Base-Base interactions energy: -583.241
where: short stacking energy: -233.945
Base-Backbone interact. energy: -0.303
local terms energy: -261.372204
where:
bonds (distance) C4'-P energy: -49.117
bonds (distance) P-C4' energy: -47.338
flat angles C4'-P-C4' energy: -55.153
flat angles P-C4'-P energy: -39.251
tors. eta vs tors. theta energy: -70.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -835.829210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.829210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.829210 (E_RNA)
where:
Base-Base interactions energy: -578.951
where: short stacking energy: -241.489
Base-Backbone interact. energy: 0.952
local terms energy: -257.829814
where:
bonds (distance) C4'-P energy: -44.561
bonds (distance) P-C4' energy: -51.670
flat angles C4'-P-C4' energy: -49.916
flat angles P-C4'-P energy: -39.218
tors. eta vs tors. theta energy: -72.466
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: 6, replica: 3
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -775.305954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.305954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.305954 (E_RNA)
where:
Base-Base interactions energy: -547.760
where: short stacking energy: -217.640
Base-Backbone interact. energy: -0.449
local terms energy: -227.096767
where:
bonds (distance) C4'-P energy: -51.825
bonds (distance) P-C4' energy: -35.637
flat angles C4'-P-C4' energy: -42.372
flat angles P-C4'-P energy: -35.961
tors. eta vs tors. theta energy: -61.302
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: 7
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -729.767303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.767303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.767303 (E_RNA)
where:
Base-Base interactions energy: -500.191
where: short stacking energy: -206.839
Base-Backbone interact. energy: 1.371
local terms energy: -230.947296
where:
bonds (distance) C4'-P energy: -42.978
bonds (distance) P-C4' energy: -42.699
flat angles C4'-P-C4' energy: -54.106
flat angles P-C4'-P energy: -37.197
tors. eta vs tors. theta energy: -53.967
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: 10
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -686.979057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.979057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.979057 (E_RNA)
where:
Base-Base interactions energy: -464.613
where: short stacking energy: -195.951
Base-Backbone interact. energy: 0.218
local terms energy: -222.584543
where:
bonds (distance) C4'-P energy: -49.667
bonds (distance) P-C4' energy: -44.696
flat angles C4'-P-C4' energy: -53.996
flat angles P-C4'-P energy: -23.935
tors. eta vs tors. theta energy: -50.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -475.198639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.198639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.198639 (E_RNA)
where:
Base-Base interactions energy: -286.590
where: short stacking energy: -147.516
Base-Backbone interact. energy: -0.785
local terms energy: -187.823482
where:
bonds (distance) C4'-P energy: -48.569
bonds (distance) P-C4' energy: -52.118
flat angles C4'-P-C4' energy: -36.697
flat angles P-C4'-P energy: -19.576
tors. eta vs tors. theta energy: -30.864
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: 6
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -213.983671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.983671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.983671 (E_RNA)
where:
Base-Base interactions energy: -83.294
where: short stacking energy: -66.246
Base-Backbone interact. energy: 1.433
local terms energy: -132.122681
where:
bonds (distance) C4'-P energy: -36.265
bonds (distance) P-C4' energy: -51.516
flat angles C4'-P-C4' energy: -32.222
flat angles P-C4'-P energy: -26.093
tors. eta vs tors. theta energy: 13.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -970.545214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.545214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.545214 (E_RNA)
where:
Base-Base interactions energy: -673.304
where: short stacking energy: -308.850
Base-Backbone interact. energy: -0.823
local terms energy: -296.417862
where:
bonds (distance) C4'-P energy: -51.914
bonds (distance) P-C4' energy: -46.370
flat angles C4'-P-C4' energy: -62.079
flat angles P-C4'-P energy: -45.781
tors. eta vs tors. theta energy: -90.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -950.300376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.300376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.300376 (E_RNA)
where:
Base-Base interactions energy: -680.515
where: short stacking energy: -262.836
Base-Backbone interact. energy: 1.772
local terms energy: -271.556817
where:
bonds (distance) C4'-P energy: -42.653
bonds (distance) P-C4' energy: -50.616
flat angles C4'-P-C4' energy: -63.111
flat angles P-C4'-P energy: -37.993
tors. eta vs tors. theta energy: -77.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -879.098561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.098561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.098561 (E_RNA)
where:
Base-Base interactions energy: -619.803
where: short stacking energy: -255.253
Base-Backbone interact. energy: -0.948
local terms energy: -258.348342
where:
bonds (distance) C4'-P energy: -44.946
bonds (distance) P-C4' energy: -49.274
flat angles C4'-P-C4' energy: -58.265
flat angles P-C4'-P energy: -35.146
tors. eta vs tors. theta energy: -70.718
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: 240
Temperature: 1.050000
Total energy: -855.006038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.006038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.006038 (E_RNA)
where:
Base-Base interactions energy: -601.321
where: short stacking energy: -247.686
Base-Backbone interact. energy: 0.407
local terms energy: -254.091923
where:
bonds (distance) C4'-P energy: -50.712
bonds (distance) P-C4' energy: -49.856
flat angles C4'-P-C4' energy: -58.115
flat angles P-C4'-P energy: -30.536
tors. eta vs tors. theta energy: -64.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -842.191194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.191194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.191194 (E_RNA)
where:
Base-Base interactions energy: -586.250
where: short stacking energy: -242.775
Base-Backbone interact. energy: 0.181
local terms energy: -256.122659
where:
bonds (distance) C4'-P energy: -56.274
bonds (distance) P-C4' energy: -48.955
flat angles C4'-P-C4' energy: -45.727
flat angles P-C4'-P energy: -32.697
tors. eta vs tors. theta energy: -72.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -801.281540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.281540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.281540 (E_RNA)
where:
Base-Base interactions energy: -551.745
where: short stacking energy: -242.444
Base-Backbone interact. energy: -0.011
local terms energy: -249.525622
where:
bonds (distance) C4'-P energy: -48.415
bonds (distance) P-C4' energy: -44.595
flat angles C4'-P-C4' energy: -48.312
flat angles P-C4'-P energy: -38.568
tors. eta vs tors. theta energy: -69.635
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: 7, replica: 10
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -730.289769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.289769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.289769 (E_RNA)
where:
Base-Base interactions energy: -505.599
where: short stacking energy: -213.496
Base-Backbone interact. energy: -1.448
local terms energy: -223.242972
where:
bonds (distance) C4'-P energy: -37.515
bonds (distance) P-C4' energy: -56.471
flat angles C4'-P-C4' energy: -49.509
flat angles P-C4'-P energy: -24.211
tors. eta vs tors. theta energy: -55.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -691.284551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.284551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.284551 (E_RNA)
where:
Base-Base interactions energy: -471.967
where: short stacking energy: -176.189
Base-Backbone interact. energy: -0.942
local terms energy: -218.375614
where:
bonds (distance) C4'-P energy: -45.848
bonds (distance) P-C4' energy: -50.646
flat angles C4'-P-C4' energy: -40.911
flat angles P-C4'-P energy: -34.670
tors. eta vs tors. theta energy: -46.301
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: 9
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -475.913283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.913283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.913283 (E_RNA)
where:
Base-Base interactions energy: -301.191
where: short stacking energy: -140.299
Base-Backbone interact. energy: -0.886
local terms energy: -173.836344
where:
bonds (distance) C4'-P energy: -43.873
bonds (distance) P-C4' energy: -45.687
flat angles C4'-P-C4' energy: -32.726
flat angles P-C4'-P energy: -31.550
tors. eta vs tors. theta energy: -20.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -220.800653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.800653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.800653 (E_RNA)
where:
Base-Base interactions energy: -101.434
where: short stacking energy: -64.073
Base-Backbone interact. energy: 3.186
local terms energy: -122.552369
where:
bonds (distance) C4'-P energy: -35.378
bonds (distance) P-C4' energy: -41.733
flat angles C4'-P-C4' energy: -39.038
flat angles P-C4'-P energy: -18.997
tors. eta vs tors. theta energy: 12.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -955.908672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.908672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.908672 (E_RNA)
where:
Base-Base interactions energy: -661.505
where: short stacking energy: -290.143
Base-Backbone interact. energy: 1.706
local terms energy: -296.109859
where:
bonds (distance) C4'-P energy: -59.109
bonds (distance) P-C4' energy: -53.176
flat angles C4'-P-C4' energy: -58.838
flat angles P-C4'-P energy: -36.776
tors. eta vs tors. theta energy: -88.211
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: 2
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -928.992283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.992283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.992283 (E_RNA)
where:
Base-Base interactions energy: -644.994
where: short stacking energy: -253.774
Base-Backbone interact. energy: 1.914
local terms energy: -285.912169
where:
bonds (distance) C4'-P energy: -51.175
bonds (distance) P-C4' energy: -64.378
flat angles C4'-P-C4' energy: -53.570
flat angles P-C4'-P energy: -42.693
tors. eta vs tors. theta energy: -74.096
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: 8
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -899.736463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.736463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.736463 (E_RNA)
where:
Base-Base interactions energy: -626.245
where: short stacking energy: -263.718
Base-Backbone interact. energy: 2.250
local terms energy: -275.741997
where:
bonds (distance) C4'-P energy: -47.340
bonds (distance) P-C4' energy: -56.794
flat angles C4'-P-C4' energy: -50.158
flat angles P-C4'-P energy: -42.191
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: 4, replica: 4
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -833.448158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.448158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.448158 (E_RNA)
where:
Base-Base interactions energy: -579.262
where: short stacking energy: -246.658
Base-Backbone interact. energy: -0.361
local terms energy: -253.824977
where:
bonds (distance) C4'-P energy: -55.054
bonds (distance) P-C4' energy: -45.902
flat angles C4'-P-C4' energy: -44.881
flat angles P-C4'-P energy: -35.673
tors. eta vs tors. theta energy: -72.314
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: 5, replica: 5
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -804.284819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.284819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.284819 (E_RNA)
where:
Base-Base interactions energy: -558.085
where: short stacking energy: -222.500
Base-Backbone interact. energy: -0.431
local terms energy: -245.768981
where:
bonds (distance) C4'-P energy: -43.783
bonds (distance) P-C4' energy: -54.767
flat angles C4'-P-C4' energy: -47.851
flat angles P-C4'-P energy: -40.518
tors. eta vs tors. theta energy: -58.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -791.966412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.966412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.966412 (E_RNA)
where:
Base-Base interactions energy: -552.450
where: short stacking energy: -226.094
Base-Backbone interact. energy: -0.218
local terms energy: -239.297957
where:
bonds (distance) C4'-P energy: -39.219
bonds (distance) P-C4' energy: -38.942
flat angles C4'-P-C4' energy: -53.075
flat angles P-C4'-P energy: -35.567
tors. eta vs tors. theta energy: -72.495
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: 241
Temperature: 1.200000
Total energy: -774.444890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.444890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.444890 (E_RNA)
where:
Base-Base interactions energy: -541.851
where: short stacking energy: -225.415
Base-Backbone interact. energy: -0.514
local terms energy: -232.079950
where:
bonds (distance) C4'-P energy: -47.032
bonds (distance) P-C4' energy: -46.624
flat angles C4'-P-C4' energy: -46.963
flat angles P-C4'-P energy: -23.430
tors. eta vs tors. theta energy: -68.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -666.393097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.393097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.393097 (E_RNA)
where:
Base-Base interactions energy: -469.739
where: short stacking energy: -201.808
Base-Backbone interact. energy: 3.696
local terms energy: -200.349769
where:
bonds (distance) C4'-P energy: -33.823
bonds (distance) P-C4' energy: -40.308
flat angles C4'-P-C4' energy: -45.340
flat angles P-C4'-P energy: -29.465
tors. eta vs tors. theta energy: -51.414
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: 241
Temperature: 1.300000
Total energy: -464.619983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.619983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.619983 (E_RNA)
where:
Base-Base interactions energy: -273.242
where: short stacking energy: -122.339
Base-Backbone interact. energy: -3.592
local terms energy: -187.785740
where:
bonds (distance) C4'-P energy: -46.836
bonds (distance) P-C4' energy: -41.523
flat angles C4'-P-C4' energy: -49.034
flat angles P-C4'-P energy: -25.173
tors. eta vs tors. theta energy: -25.220
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: 6
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -224.897775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.897775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.897775 (E_RNA)
where:
Base-Base interactions energy: -88.688
where: short stacking energy: -79.003
Base-Backbone interact. energy: -0.131
local terms energy: -136.079274
where:
bonds (distance) C4'-P energy: -42.187
bonds (distance) P-C4' energy: -41.461
flat angles C4'-P-C4' energy: -41.671
flat angles P-C4'-P energy: -12.732
tors. eta vs tors. theta energy: 1.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -955.071489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.071489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.071489 (E_RNA)
where:
Base-Base interactions energy: -668.800
where: short stacking energy: -292.364
Base-Backbone interact. energy: -0.509
local terms energy: -285.762266
where:
bonds (distance) C4'-P energy: -50.232
bonds (distance) P-C4' energy: -55.591
flat angles C4'-P-C4' energy: -54.318
flat angles P-C4'-P energy: -40.606
tors. eta vs tors. theta energy: -85.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -949.715126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.715126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.715126 (E_RNA)
where:
Base-Base interactions energy: -662.082
where: short stacking energy: -287.872
Base-Backbone interact. energy: -1.207
local terms energy: -286.426572
where:
bonds (distance) C4'-P energy: -47.539
bonds (distance) P-C4' energy: -46.138
flat angles C4'-P-C4' energy: -63.117
flat angles P-C4'-P energy: -44.478
tors. eta vs tors. theta energy: -85.154
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: 8
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -887.425695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.425695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.425695 (E_RNA)
where:
Base-Base interactions energy: -619.492
where: short stacking energy: -247.026
Base-Backbone interact. energy: -0.855
local terms energy: -267.077814
where:
bonds (distance) C4'-P energy: -52.835
bonds (distance) P-C4' energy: -50.987
flat angles C4'-P-C4' energy: -58.843
flat angles P-C4'-P energy: -39.015
tors. eta vs tors. theta energy: -65.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -856.467563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.467563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.467563 (E_RNA)
where:
Base-Base interactions energy: -596.070
where: short stacking energy: -248.099
Base-Backbone interact. energy: -1.089
local terms energy: -259.308998
where:
bonds (distance) C4'-P energy: -43.653
bonds (distance) P-C4' energy: -51.950
flat angles C4'-P-C4' energy: -57.841
flat angles P-C4'-P energy: -40.115
tors. eta vs tors. theta energy: -65.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -811.675150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.675150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.675150 (E_RNA)
where:
Base-Base interactions energy: -563.457
where: short stacking energy: -248.485
Base-Backbone interact. energy: -1.438
local terms energy: -246.780150
where:
bonds (distance) C4'-P energy: -36.381
bonds (distance) P-C4' energy: -52.467
flat angles C4'-P-C4' energy: -50.104
flat angles P-C4'-P energy: -38.496
tors. eta vs tors. theta energy: -69.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -765.179527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.179527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.179527 (E_RNA)
where:
Base-Base interactions energy: -518.269
where: short stacking energy: -194.401
Base-Backbone interact. energy: 0.845
local terms energy: -247.755835
where:
bonds (distance) C4'-P energy: -53.090
bonds (distance) P-C4' energy: -51.170
flat angles C4'-P-C4' energy: -51.881
flat angles P-C4'-P energy: -32.573
tors. eta vs tors. theta energy: -59.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -768.391693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.391693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.391693 (E_RNA)
where:
Base-Base interactions energy: -523.264
where: short stacking energy: -198.305
Base-Backbone interact. energy: -1.008
local terms energy: -244.120131
where:
bonds (distance) C4'-P energy: -51.035
bonds (distance) P-C4' energy: -50.758
flat angles C4'-P-C4' energy: -53.458
flat angles P-C4'-P energy: -29.217
tors. eta vs tors. theta energy: -59.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -637.122327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.122327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.122327 (E_RNA)
where:
Base-Base interactions energy: -430.543
where: short stacking energy: -181.491
Base-Backbone interact. energy: -1.143
local terms energy: -205.437083
where:
bonds (distance) C4'-P energy: -48.503
bonds (distance) P-C4' energy: -36.509
flat angles C4'-P-C4' energy: -53.864
flat angles P-C4'-P energy: -27.719
tors. eta vs tors. theta energy: -38.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -445.185755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.185755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.185755 (E_RNA)
where:
Base-Base interactions energy: -268.674
where: short stacking energy: -129.004
Base-Backbone interact. energy: 3.809
local terms energy: -180.320857
where:
bonds (distance) C4'-P energy: -42.274
bonds (distance) P-C4' energy: -44.634
flat angles C4'-P-C4' energy: -52.111
flat angles P-C4'-P energy: -18.327
tors. eta vs tors. theta energy: -22.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -208.788025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.788025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.788025 (E_RNA)
where:
Base-Base interactions energy: -76.119
where: short stacking energy: -65.868
Base-Backbone interact. energy: 4.199
local terms energy: -136.867878
where:
bonds (distance) C4'-P energy: -45.484
bonds (distance) P-C4' energy: -42.980
flat angles C4'-P-C4' energy: -34.981
flat angles P-C4'-P energy: -21.050
tors. eta vs tors. theta energy: 7.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -945.213096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.213096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.213096 (E_RNA)
where:
Base-Base interactions energy: -662.618
where: short stacking energy: -286.325
Base-Backbone interact. energy: -0.289
local terms energy: -282.306390
where:
bonds (distance) C4'-P energy: -51.520
bonds (distance) P-C4' energy: -42.998
flat angles C4'-P-C4' energy: -62.156
flat angles P-C4'-P energy: -40.124
tors. eta vs tors. theta energy: -85.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -912.046301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.046301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.046301 (E_RNA)
where:
Base-Base interactions energy: -634.654
where: short stacking energy: -257.367
Base-Backbone interact. energy: -1.417
local terms energy: -275.975408
where:
bonds (distance) C4'-P energy: -50.424
bonds (distance) P-C4' energy: -49.191
flat angles C4'-P-C4' energy: -54.693
flat angles P-C4'-P energy: -37.583
tors. eta vs tors. theta energy: -84.084
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: 3, replica: 8
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -885.268312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.268312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.268312 (E_RNA)
where:
Base-Base interactions energy: -612.540
where: short stacking energy: -266.790
Base-Backbone interact. energy: -0.962
local terms energy: -271.766522
where:
bonds (distance) C4'-P energy: -51.134
bonds (distance) P-C4' energy: -52.231
flat angles C4'-P-C4' energy: -50.344
flat angles P-C4'-P energy: -43.492
tors. eta vs tors. theta energy: -74.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -839.336493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.336493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.336493 (E_RNA)
where:
Base-Base interactions energy: -582.892
where: short stacking energy: -255.091
Base-Backbone interact. energy: -0.405
local terms energy: -256.039982
where:
bonds (distance) C4'-P energy: -35.586
bonds (distance) P-C4' energy: -61.949
flat angles C4'-P-C4' energy: -55.460
flat angles P-C4'-P energy: -31.286
tors. eta vs tors. theta energy: -71.759
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: 5, replica: 4
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -814.480274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.480274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.480274 (E_RNA)
where:
Base-Base interactions energy: -567.838
where: short stacking energy: -232.361
Base-Backbone interact. energy: -0.818
local terms energy: -245.823345
where:
bonds (distance) C4'-P energy: -44.582
bonds (distance) P-C4' energy: -38.549
flat angles C4'-P-C4' energy: -50.172
flat angles P-C4'-P energy: -39.982
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: 6, replica: 10
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -781.843261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.843261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.843261 (E_RNA)
where:
Base-Base interactions energy: -534.520
where: short stacking energy: -226.688
Base-Backbone interact. energy: -0.690
local terms energy: -246.633009
where:
bonds (distance) C4'-P energy: -51.117
bonds (distance) P-C4' energy: -51.558
flat angles C4'-P-C4' energy: -46.196
flat angles P-C4'-P energy: -37.161
tors. eta vs tors. theta energy: -60.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -750.425474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.425474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.425474 (E_RNA)
where:
Base-Base interactions energy: -539.350
where: short stacking energy: -214.279
Base-Backbone interact. energy: -0.498
local terms energy: -210.577593
where:
bonds (distance) C4'-P energy: -38.980
bonds (distance) P-C4' energy: -48.515
flat angles C4'-P-C4' energy: -47.722
flat angles P-C4'-P energy: -25.495
tors. eta vs tors. theta energy: -49.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -636.404385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.404385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.404385 (E_RNA)
where:
Base-Base interactions energy: -439.935
where: short stacking energy: -192.883
Base-Backbone interact. energy: -0.551
local terms energy: -195.918428
where:
bonds (distance) C4'-P energy: -34.910
bonds (distance) P-C4' energy: -47.201
flat angles C4'-P-C4' energy: -45.975
flat angles P-C4'-P energy: -24.945
tors. eta vs tors. theta energy: -42.887
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: 9
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -474.798870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.798870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.798870 (E_RNA)
where:
Base-Base interactions energy: -311.788
where: short stacking energy: -142.862
Base-Backbone interact. energy: -1.012
local terms energy: -161.999123
where:
bonds (distance) C4'-P energy: -38.900
bonds (distance) P-C4' energy: -36.019
flat angles C4'-P-C4' energy: -43.872
flat angles P-C4'-P energy: -17.656
tors. eta vs tors. theta energy: -25.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -213.155857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.155857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.155857 (E_RNA)
where:
Base-Base interactions energy: -70.368
where: short stacking energy: -57.135
Base-Backbone interact. energy: 0.808
local terms energy: -143.595863
where:
bonds (distance) C4'-P energy: -41.407
bonds (distance) P-C4' energy: -46.444
flat angles C4'-P-C4' energy: -36.746
flat angles P-C4'-P energy: -34.254
tors. eta vs tors. theta energy: 15.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -972.194672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.194672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.194672 (E_RNA)
where:
Base-Base interactions energy: -674.189
where: short stacking energy: -284.036
Base-Backbone interact. energy: -2.085
local terms energy: -295.920579
where:
bonds (distance) C4'-P energy: -50.446
bonds (distance) P-C4' energy: -56.786
flat angles C4'-P-C4' energy: -61.150
flat angles P-C4'-P energy: -43.646
tors. eta vs tors. theta energy: -83.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -936.071346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.071346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.071346 (E_RNA)
where:
Base-Base interactions energy: -652.224
where: short stacking energy: -284.824
Base-Backbone interact. energy: -1.189
local terms energy: -282.658388
where:
bonds (distance) C4'-P energy: -57.227
bonds (distance) P-C4' energy: -48.666
flat angles C4'-P-C4' energy: -56.644
flat angles P-C4'-P energy: -39.821
tors. eta vs tors. theta energy: -80.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -876.608446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.608446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.608446 (E_RNA)
where:
Base-Base interactions energy: -599.325
where: short stacking energy: -252.179
Base-Backbone interact. energy: -0.498
local terms energy: -276.785431
where:
bonds (distance) C4'-P energy: -49.959
bonds (distance) P-C4' energy: -52.530
flat angles C4'-P-C4' energy: -59.389
flat angles P-C4'-P energy: -41.236
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: 4, replica: 3
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -815.770103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.770103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.770103 (E_RNA)
where:
Base-Base interactions energy: -546.545
where: short stacking energy: -243.463
Base-Backbone interact. energy: -0.124
local terms energy: -269.101165
where:
bonds (distance) C4'-P energy: -49.218
bonds (distance) P-C4' energy: -51.961
flat angles C4'-P-C4' energy: -50.072
flat angles P-C4'-P energy: -45.871
tors. eta vs tors. theta energy: -71.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -821.879237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.879237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.879237 (E_RNA)
where:
Base-Base interactions energy: -584.862
where: short stacking energy: -244.697
Base-Backbone interact. energy: -0.531
local terms energy: -236.486942
where:
bonds (distance) C4'-P energy: -38.843
bonds (distance) P-C4' energy: -42.196
flat angles C4'-P-C4' energy: -53.781
flat angles P-C4'-P energy: -34.897
tors. eta vs tors. theta energy: -66.770
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: 4
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -843.119663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.119663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.119663 (E_RNA)
where:
Base-Base interactions energy: -586.916
where: short stacking energy: -251.216
Base-Backbone interact. energy: 1.089
local terms energy: -257.292556
where:
bonds (distance) C4'-P energy: -50.890
bonds (distance) P-C4' energy: -46.611
flat angles C4'-P-C4' energy: -48.407
flat angles P-C4'-P energy: -39.437
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: 7, replica: 5
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -760.611300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.611300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.611300 (E_RNA)
where:
Base-Base interactions energy: -516.312
where: short stacking energy: -229.842
Base-Backbone interact. energy: -0.045
local terms energy: -244.255002
where:
bonds (distance) C4'-P energy: -41.763
bonds (distance) P-C4' energy: -53.867
flat angles C4'-P-C4' energy: -48.725
flat angles P-C4'-P energy: -39.845
tors. eta vs tors. theta energy: -60.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -633.958311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.958311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.958311 (E_RNA)
where:
Base-Base interactions energy: -444.673
where: short stacking energy: -175.084
Base-Backbone interact. energy: -1.480
local terms energy: -187.805359
where:
bonds (distance) C4'-P energy: -43.716
bonds (distance) P-C4' energy: -51.084
flat angles C4'-P-C4' energy: -45.072
flat angles P-C4'-P energy: -16.828
tors. eta vs tors. theta energy: -31.105
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: 244
Temperature: 1.300000
Total energy: -488.034742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.034742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.034742 (E_RNA)
where:
Base-Base interactions energy: -299.263
where: short stacking energy: -138.089
Base-Backbone interact. energy: 1.847
local terms energy: -190.617927
where:
bonds (distance) C4'-P energy: -40.890
bonds (distance) P-C4' energy: -47.961
flat angles C4'-P-C4' energy: -44.701
flat angles P-C4'-P energy: -28.998
tors. eta vs tors. theta energy: -28.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -253.816996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.816996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.816996 (E_RNA)
where:
Base-Base interactions energy: -94.615
where: short stacking energy: -67.030
Base-Backbone interact. energy: 1.246
local terms energy: -160.448056
where:
bonds (distance) C4'-P energy: -42.423
bonds (distance) P-C4' energy: -49.942
flat angles C4'-P-C4' energy: -39.887
flat angles P-C4'-P energy: -22.587
tors. eta vs tors. theta energy: -5.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -967.857519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.857519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.857519 (E_RNA)
where:
Base-Base interactions energy: -667.875
where: short stacking energy: -304.285
Base-Backbone interact. energy: -0.918
local terms energy: -299.064108
where:
bonds (distance) C4'-P energy: -51.035
bonds (distance) P-C4' energy: -54.252
flat angles C4'-P-C4' energy: -63.686
flat angles P-C4'-P energy: -44.538
tors. eta vs tors. theta energy: -85.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -945.080539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.080539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.080539 (E_RNA)
where:
Base-Base interactions energy: -660.564
where: short stacking energy: -261.143
Base-Backbone interact. energy: -0.336
local terms energy: -284.180154
where:
bonds (distance) C4'-P energy: -51.329
bonds (distance) P-C4' energy: -56.925
flat angles C4'-P-C4' energy: -60.689
flat angles P-C4'-P energy: -39.002
tors. eta vs tors. theta energy: -76.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -878.513163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.513163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.513163 (E_RNA)
where:
Base-Base interactions energy: -616.965
where: short stacking energy: -255.767
Base-Backbone interact. energy: -0.409
local terms energy: -261.139194
where:
bonds (distance) C4'-P energy: -50.032
bonds (distance) P-C4' energy: -50.559
flat angles C4'-P-C4' energy: -50.098
flat angles P-C4'-P energy: -33.486
tors. eta vs tors. theta energy: -76.965
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: 4, replica: 10
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -836.322352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.322352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.322352 (E_RNA)
where:
Base-Base interactions energy: -574.554
where: short stacking energy: -242.179
Base-Backbone interact. energy: -1.156
local terms energy: -260.612066
where:
bonds (distance) C4'-P energy: -42.432
bonds (distance) P-C4' energy: -58.571
flat angles C4'-P-C4' energy: -60.144
flat angles P-C4'-P energy: -28.392
tors. eta vs tors. theta energy: -71.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -795.372190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.372190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.372190 (E_RNA)
where:
Base-Base interactions energy: -546.192
where: short stacking energy: -244.299
Base-Backbone interact. energy: -0.284
local terms energy: -248.895642
where:
bonds (distance) C4'-P energy: -48.921
bonds (distance) P-C4' energy: -46.445
flat angles C4'-P-C4' energy: -52.678
flat angles P-C4'-P energy: -37.079
tors. eta vs tors. theta energy: -63.772
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: 245
Temperature: 1.150000
Total energy: -808.236415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.236415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.236415 (E_RNA)
where:
Base-Base interactions energy: -552.968
where: short stacking energy: -234.044
Base-Backbone interact. energy: -0.104
local terms energy: -255.164618
where:
bonds (distance) C4'-P energy: -49.491
bonds (distance) P-C4' energy: -54.969
flat angles C4'-P-C4' energy: -56.157
flat angles P-C4'-P energy: -31.393
tors. eta vs tors. theta energy: -63.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -706.879503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.879503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.879503 (E_RNA)
where:
Base-Base interactions energy: -502.338
where: short stacking energy: -203.176
Base-Backbone interact. energy: -0.894
local terms energy: -203.647306
where:
bonds (distance) C4'-P energy: -36.727
bonds (distance) P-C4' energy: -47.005
flat angles C4'-P-C4' energy: -35.878
flat angles P-C4'-P energy: -38.377
tors. eta vs tors. theta energy: -45.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -673.769809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.769809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.769809 (E_RNA)
where:
Base-Base interactions energy: -469.494
where: short stacking energy: -196.394
Base-Backbone interact. energy: -0.618
local terms energy: -203.658471
where:
bonds (distance) C4'-P energy: -38.827
bonds (distance) P-C4' energy: -41.625
flat angles C4'-P-C4' energy: -43.215
flat angles P-C4'-P energy: -29.581
tors. eta vs tors. theta energy: -50.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -492.049487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.049487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.049487 (E_RNA)
where:
Base-Base interactions energy: -304.392
where: short stacking energy: -155.800
Base-Backbone interact. energy: 1.732
local terms energy: -189.389609
where:
bonds (distance) C4'-P energy: -31.865
bonds (distance) P-C4' energy: -48.693
flat angles C4'-P-C4' energy: -43.168
flat angles P-C4'-P energy: -27.227
tors. eta vs tors. theta energy: -38.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -227.029763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.029763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.029763 (E_RNA)
where:
Base-Base interactions energy: -73.526
where: short stacking energy: -68.558
Base-Backbone interact. energy: 1.052
local terms energy: -154.555142
where:
bonds (distance) C4'-P energy: -41.804
bonds (distance) P-C4' energy: -41.231
flat angles C4'-P-C4' energy: -45.604
flat angles P-C4'-P energy: -20.488
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: 1
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -954.545389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.545389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.545389 (E_RNA)
where:
Base-Base interactions energy: -662.052
where: short stacking energy: -289.379
Base-Backbone interact. energy: -0.001
local terms energy: -292.492645
where:
bonds (distance) C4'-P energy: -49.164
bonds (distance) P-C4' energy: -55.862
flat angles C4'-P-C4' energy: -58.091
flat angles P-C4'-P energy: -41.608
tors. eta vs tors. theta energy: -87.767
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: 2, replica: 2
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -932.304008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.304008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.304008 (E_RNA)
where:
Base-Base interactions energy: -650.374
where: short stacking energy: -271.591
Base-Backbone interact. energy: -1.732
local terms energy: -280.198242
where:
bonds (distance) C4'-P energy: -47.552
bonds (distance) P-C4' energy: -54.855
flat angles C4'-P-C4' energy: -59.965
flat angles P-C4'-P energy: -45.132
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: 8
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -895.230950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.230950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.230950 (E_RNA)
where:
Base-Base interactions energy: -618.041
where: short stacking energy: -250.566
Base-Backbone interact. energy: -1.953
local terms energy: -275.236350
where:
bonds (distance) C4'-P energy: -44.739
bonds (distance) P-C4' energy: -55.972
flat angles C4'-P-C4' energy: -57.497
flat angles P-C4'-P energy: -41.658
tors. eta vs tors. theta energy: -75.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -834.435952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.435952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.435952 (E_RNA)
where:
Base-Base interactions energy: -579.993
where: short stacking energy: -261.122
Base-Backbone interact. energy: -1.086
local terms energy: -253.356960
where:
bonds (distance) C4'-P energy: -43.632
bonds (distance) P-C4' energy: -54.114
flat angles C4'-P-C4' energy: -54.093
flat angles P-C4'-P energy: -31.201
tors. eta vs tors. theta energy: -70.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -807.178538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.178538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.178538 (E_RNA)
where:
Base-Base interactions energy: -544.977
where: short stacking energy: -231.866
Base-Backbone interact. energy: -0.921
local terms energy: -261.281049
where:
bonds (distance) C4'-P energy: -49.475
bonds (distance) P-C4' energy: -52.246
flat angles C4'-P-C4' energy: -58.049
flat angles P-C4'-P energy: -38.848
tors. eta vs tors. theta energy: -62.662
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: 3
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -764.664853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.664853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.664853 (E_RNA)
where:
Base-Base interactions energy: -528.168
where: short stacking energy: -216.451
Base-Backbone interact. energy: -0.315
local terms energy: -236.181897
where:
bonds (distance) C4'-P energy: -50.326
bonds (distance) P-C4' energy: -44.434
flat angles C4'-P-C4' energy: -46.299
flat angles P-C4'-P energy: -39.429
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: 7
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -676.297880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.297880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.297880 (E_RNA)
where:
Base-Base interactions energy: -467.713
where: short stacking energy: -192.698
Base-Backbone interact. energy: 0.015
local terms energy: -208.599384
where:
bonds (distance) C4'-P energy: -43.623
bonds (distance) P-C4' energy: -46.990
flat angles C4'-P-C4' energy: -44.818
flat angles P-C4'-P energy: -26.412
tors. eta vs tors. theta energy: -46.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -695.949225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.949225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.949225 (E_RNA)
where:
Base-Base interactions energy: -477.869
where: short stacking energy: -190.451
Base-Backbone interact. energy: -0.149
local terms energy: -217.930982
where:
bonds (distance) C4'-P energy: -47.096
bonds (distance) P-C4' energy: -40.140
flat angles C4'-P-C4' energy: -52.272
flat angles P-C4'-P energy: -27.526
tors. eta vs tors. theta energy: -50.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -450.053086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.053086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.053086 (E_RNA)
where:
Base-Base interactions energy: -262.762
where: short stacking energy: -128.704
Base-Backbone interact. energy: 0.089
local terms energy: -187.380249
where:
bonds (distance) C4'-P energy: -38.796
bonds (distance) P-C4' energy: -50.603
flat angles C4'-P-C4' energy: -40.303
flat angles P-C4'-P energy: -36.510
tors. eta vs tors. theta energy: -21.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -232.475016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.475016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.475016 (E_RNA)
where:
Base-Base interactions energy: -82.432
where: short stacking energy: -74.441
Base-Backbone interact. energy: 0.406
local terms energy: -150.448988
where:
bonds (distance) C4'-P energy: -43.872
bonds (distance) P-C4' energy: -47.403
flat angles C4'-P-C4' energy: -37.010
flat angles P-C4'-P energy: -26.295
tors. eta vs tors. theta energy: 4.131
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: 1, replica: 1
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -964.671517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.671517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.671517 (E_RNA)
where:
Base-Base interactions energy: -658.235
where: short stacking energy: -284.034
Base-Backbone interact. energy: -0.629
local terms energy: -305.807520
where:
bonds (distance) C4'-P energy: -54.173
bonds (distance) P-C4' energy: -52.218
flat angles C4'-P-C4' energy: -65.952
flat angles P-C4'-P energy: -46.950
tors. eta vs tors. theta energy: -86.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -925.044193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.044193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.044193 (E_RNA)
where:
Base-Base interactions energy: -640.210
where: short stacking energy: -273.116
Base-Backbone interact. energy: -1.089
local terms energy: -283.744553
where:
bonds (distance) C4'-P energy: -39.846
bonds (distance) P-C4' energy: -64.078
flat angles C4'-P-C4' energy: -55.746
flat angles P-C4'-P energy: -41.875
tors. eta vs tors. theta energy: -82.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -885.403767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.403767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.403767 (E_RNA)
where:
Base-Base interactions energy: -602.676
where: short stacking energy: -261.023
Base-Backbone interact. energy: -0.853
local terms energy: -281.875086
where:
bonds (distance) C4'-P energy: -47.771
bonds (distance) P-C4' energy: -59.471
flat angles C4'-P-C4' energy: -55.940
flat angles P-C4'-P energy: -40.224
tors. eta vs tors. theta energy: -78.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -835.587893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.587893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.587893 (E_RNA)
where:
Base-Base interactions energy: -582.847
where: short stacking energy: -239.353
Base-Backbone interact. energy: -1.817
local terms energy: -250.923949
where:
bonds (distance) C4'-P energy: -44.672
bonds (distance) P-C4' energy: -43.512
flat angles C4'-P-C4' energy: -50.703
flat angles P-C4'-P energy: -38.361
tors. eta vs tors. theta energy: -73.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -838.279331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.279331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.279331 (E_RNA)
where:
Base-Base interactions energy: -561.180
where: short stacking energy: -234.764
Base-Backbone interact. energy: -1.624
local terms energy: -275.474873
where:
bonds (distance) C4'-P energy: -60.955
bonds (distance) P-C4' energy: -56.245
flat angles C4'-P-C4' energy: -49.109
flat angles P-C4'-P energy: -36.400
tors. eta vs tors. theta energy: -72.766
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: 3
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -748.149428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.149428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.149428 (E_RNA)
where:
Base-Base interactions energy: -544.415
where: short stacking energy: -220.914
Base-Backbone interact. energy: -0.910
local terms energy: -202.824837
where:
bonds (distance) C4'-P energy: -41.205
bonds (distance) P-C4' energy: -35.863
flat angles C4'-P-C4' energy: -40.899
flat angles P-C4'-P energy: -26.911
tors. eta vs tors. theta energy: -57.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -724.423048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.423048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.423048 (E_RNA)
where:
Base-Base interactions energy: -499.384
where: short stacking energy: -218.463
Base-Backbone interact. energy: 0.911
local terms energy: -225.950233
where:
bonds (distance) C4'-P energy: -44.362
bonds (distance) P-C4' energy: -41.817
flat angles C4'-P-C4' energy: -48.478
flat angles P-C4'-P energy: -28.549
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: 8, replica: 5
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -708.634659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.634659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.634659 (E_RNA)
where:
Base-Base interactions energy: -480.259
where: short stacking energy: -208.026
Base-Backbone interact. energy: 1.198
local terms energy: -229.573810
where:
bonds (distance) C4'-P energy: -46.887
bonds (distance) P-C4' energy: -36.003
flat angles C4'-P-C4' energy: -50.026
flat angles P-C4'-P energy: -33.610
tors. eta vs tors. theta energy: -63.046
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: 247
Temperature: 1.300000
Total energy: -527.964899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.964899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.964899 (E_RNA)
where:
Base-Base interactions energy: -324.347
where: short stacking energy: -134.279
Base-Backbone interact. energy: -1.535
local terms energy: -202.082617
where:
bonds (distance) C4'-P energy: -51.019
bonds (distance) P-C4' energy: -48.299
flat angles C4'-P-C4' energy: -43.032
flat angles P-C4'-P energy: -26.828
tors. eta vs tors. theta energy: -32.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -228.519004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.519004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.519004 (E_RNA)
where:
Base-Base interactions energy: -83.314
where: short stacking energy: -70.784
Base-Backbone interact. energy: 0.499
local terms energy: -145.703462
where:
bonds (distance) C4'-P energy: -28.376
bonds (distance) P-C4' energy: -44.067
flat angles C4'-P-C4' energy: -39.719
flat angles P-C4'-P energy: -28.454
tors. eta vs tors. theta energy: -5.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -957.381248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.381248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.381248 (E_RNA)
where:
Base-Base interactions energy: -660.378
where: short stacking energy: -284.710
Base-Backbone interact. energy: -0.485
local terms energy: -296.517802
where:
bonds (distance) C4'-P energy: -51.076
bonds (distance) P-C4' energy: -50.169
flat angles C4'-P-C4' energy: -64.486
flat angles P-C4'-P energy: -45.167
tors. eta vs tors. theta energy: -85.619
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: 2, replica: 2
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -944.552750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.552750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.552750 (E_RNA)
where:
Base-Base interactions energy: -644.086
where: short stacking energy: -282.271
Base-Backbone interact. energy: -0.949
local terms energy: -299.518647
where:
bonds (distance) C4'-P energy: -45.818
bonds (distance) P-C4' energy: -58.487
flat angles C4'-P-C4' energy: -65.121
flat angles P-C4'-P energy: -44.979
tors. eta vs tors. theta energy: -85.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -903.077149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.077149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.077149 (E_RNA)
where:
Base-Base interactions energy: -623.117
where: short stacking energy: -264.173
Base-Backbone interact. energy: 0.669
local terms energy: -280.629061
where:
bonds (distance) C4'-P energy: -52.923
bonds (distance) P-C4' energy: -48.999
flat angles C4'-P-C4' energy: -54.932
flat angles P-C4'-P energy: -43.629
tors. eta vs tors. theta energy: -80.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -850.597286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.597286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.597286 (E_RNA)
where:
Base-Base interactions energy: -589.103
where: short stacking energy: -245.315
Base-Backbone interact. energy: -1.289
local terms energy: -260.205586
where:
bonds (distance) C4'-P energy: -48.500
bonds (distance) P-C4' energy: -45.186
flat angles C4'-P-C4' energy: -56.698
flat angles P-C4'-P energy: -37.097
tors. eta vs tors. theta energy: -72.725
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: 3
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -784.733449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.733449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.733449 (E_RNA)
where:
Base-Base interactions energy: -540.002
where: short stacking energy: -218.474
Base-Backbone interact. energy: 1.720
local terms energy: -246.451737
where:
bonds (distance) C4'-P energy: -39.014
bonds (distance) P-C4' energy: -42.495
flat angles C4'-P-C4' energy: -54.205
flat angles P-C4'-P energy: -43.702
tors. eta vs tors. theta energy: -67.036
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: 10
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -790.782319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.782319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.782319 (E_RNA)
where:
Base-Base interactions energy: -557.214
where: short stacking energy: -242.900
Base-Backbone interact. energy: -0.647
local terms energy: -232.921441
where:
bonds (distance) C4'-P energy: -41.495
bonds (distance) P-C4' energy: -44.466
flat angles C4'-P-C4' energy: -49.622
flat angles P-C4'-P energy: -25.612
tors. eta vs tors. theta energy: -71.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -713.688402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.688402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.688402 (E_RNA)
where:
Base-Base interactions energy: -486.981
where: short stacking energy: -205.889
Base-Backbone interact. energy: -0.553
local terms energy: -226.153466
where:
bonds (distance) C4'-P energy: -39.134
bonds (distance) P-C4' energy: -44.843
flat angles C4'-P-C4' energy: -49.615
flat angles P-C4'-P energy: -42.028
tors. eta vs tors. theta energy: -50.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -645.916552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.916552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.916552 (E_RNA)
where:
Base-Base interactions energy: -455.293
where: short stacking energy: -188.388
Base-Backbone interact. energy: 0.011
local terms energy: -190.634493
where:
bonds (distance) C4'-P energy: -36.696
bonds (distance) P-C4' energy: -42.533
flat angles C4'-P-C4' energy: -39.874
flat angles P-C4'-P energy: -28.279
tors. eta vs tors. theta energy: -43.251
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: 248
Temperature: 1.300000
Total energy: -531.871529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.871529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.871529 (E_RNA)
where:
Base-Base interactions energy: -348.215
where: short stacking energy: -153.301
Base-Backbone interact. energy: -1.124
local terms energy: -182.532940
where:
bonds (distance) C4'-P energy: -38.538
bonds (distance) P-C4' energy: -45.552
flat angles C4'-P-C4' energy: -42.477
flat angles P-C4'-P energy: -31.037
tors. eta vs tors. theta energy: -24.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -225.763452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.763452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.763452 (E_RNA)
where:
Base-Base interactions energy: -71.444
where: short stacking energy: -61.703
Base-Backbone interact. energy: -2.024
local terms energy: -152.295562
where:
bonds (distance) C4'-P energy: -41.107
bonds (distance) P-C4' energy: -48.311
flat angles C4'-P-C4' energy: -49.820
flat angles P-C4'-P energy: -21.288
tors. eta vs tors. theta energy: 8.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -961.226466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.226466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.226466 (E_RNA)
where:
Base-Base interactions energy: -664.734
where: short stacking energy: -302.301
Base-Backbone interact. energy: 0.024
local terms energy: -296.516472
where:
bonds (distance) C4'-P energy: -53.919
bonds (distance) P-C4' energy: -49.237
flat angles C4'-P-C4' energy: -59.515
flat angles P-C4'-P energy: -41.129
tors. eta vs tors. theta energy: -92.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -922.465294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.465294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.465294 (E_RNA)
where:
Base-Base interactions energy: -648.083
where: short stacking energy: -269.638
Base-Backbone interact. energy: -1.289
local terms energy: -273.093437
where:
bonds (distance) C4'-P energy: -56.797
bonds (distance) P-C4' energy: -51.384
flat angles C4'-P-C4' energy: -59.484
flat angles P-C4'-P energy: -33.847
tors. eta vs tors. theta energy: -71.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -910.718959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.718959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.718959 (E_RNA)
where:
Base-Base interactions energy: -622.150
where: short stacking energy: -267.989
Base-Backbone interact. energy: 0.486
local terms energy: -289.054236
where:
bonds (distance) C4'-P energy: -56.339
bonds (distance) P-C4' energy: -41.668
flat angles C4'-P-C4' energy: -62.591
flat angles P-C4'-P energy: -42.531
tors. eta vs tors. theta energy: -85.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -852.643343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.643343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.643343 (E_RNA)
where:
Base-Base interactions energy: -598.367
where: short stacking energy: -252.979
Base-Backbone interact. energy: 2.098
local terms energy: -256.374616
where:
bonds (distance) C4'-P energy: -44.251
bonds (distance) P-C4' energy: -44.620
flat angles C4'-P-C4' energy: -56.864
flat angles P-C4'-P energy: -35.172
tors. eta vs tors. theta energy: -75.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -766.956408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.956408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.956408 (E_RNA)
where:
Base-Base interactions energy: -518.815
where: short stacking energy: -214.042
Base-Backbone interact. energy: -0.989
local terms energy: -247.152408
where:
bonds (distance) C4'-P energy: -53.589
bonds (distance) P-C4' energy: -48.174
flat angles C4'-P-C4' energy: -47.680
flat angles P-C4'-P energy: -38.105
tors. eta vs tors. theta energy: -59.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -730.263560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.263560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.263560 (E_RNA)
where:
Base-Base interactions energy: -506.923
where: short stacking energy: -194.800
Base-Backbone interact. energy: 0.909
local terms energy: -224.249892
where:
bonds (distance) C4'-P energy: -40.481
bonds (distance) P-C4' energy: -55.683
flat angles C4'-P-C4' energy: -38.050
flat angles P-C4'-P energy: -36.021
tors. eta vs tors. theta energy: -54.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -768.961338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.961338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.961338 (E_RNA)
where:
Base-Base interactions energy: -537.336
where: short stacking energy: -213.242
Base-Backbone interact. energy: 2.187
local terms energy: -233.812090
where:
bonds (distance) C4'-P energy: -45.702
bonds (distance) P-C4' energy: -38.525
flat angles C4'-P-C4' energy: -54.885
flat angles P-C4'-P energy: -28.362
tors. eta vs tors. theta energy: -66.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -691.830306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.830306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.830306 (E_RNA)
where:
Base-Base interactions energy: -450.030
where: short stacking energy: -181.702
Base-Backbone interact. energy: -0.256
local terms energy: -241.543806
where:
bonds (distance) C4'-P energy: -51.098
bonds (distance) P-C4' energy: -46.859
flat angles C4'-P-C4' energy: -49.246
flat angles P-C4'-P energy: -49.016
tors. eta vs tors. theta energy: -45.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -495.087872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.087872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.087872 (E_RNA)
where:
Base-Base interactions energy: -312.409
where: short stacking energy: -131.086
Base-Backbone interact. energy: -1.551
local terms energy: -181.128235
where:
bonds (distance) C4'-P energy: -35.710
bonds (distance) P-C4' energy: -43.058
flat angles C4'-P-C4' energy: -44.236
flat angles P-C4'-P energy: -21.973
tors. eta vs tors. theta energy: -36.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -232.092555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.092555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.092555 (E_RNA)
where:
Base-Base interactions energy: -93.660
where: short stacking energy: -83.650
Base-Backbone interact. energy: -0.658
local terms energy: -137.774509
where:
bonds (distance) C4'-P energy: -43.668
bonds (distance) P-C4' energy: -44.044
flat angles C4'-P-C4' energy: -38.556
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -0.432
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: 1
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -955.225332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.225332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.225332 (E_RNA)
where:
Base-Base interactions energy: -657.866
where: short stacking energy: -290.812
Base-Backbone interact. energy: -1.014
local terms energy: -296.345295
where:
bonds (distance) C4'-P energy: -52.212
bonds (distance) P-C4' energy: -57.578
flat angles C4'-P-C4' energy: -57.563
flat angles P-C4'-P energy: -40.902
tors. eta vs tors. theta energy: -88.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -911.862793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.862793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.862793 (E_RNA)
where:
Base-Base interactions energy: -628.832
where: short stacking energy: -267.483
Base-Backbone interact. energy: -0.673
local terms energy: -282.357205
where:
bonds (distance) C4'-P energy: -47.274
bonds (distance) P-C4' energy: -53.047
flat angles C4'-P-C4' energy: -56.535
flat angles P-C4'-P energy: -43.469
tors. eta vs tors. theta energy: -82.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -887.064126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.064126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.064126 (E_RNA)
where:
Base-Base interactions energy: -617.908
where: short stacking energy: -274.491
Base-Backbone interact. energy: 0.748
local terms energy: -269.903762
where:
bonds (distance) C4'-P energy: -45.484
bonds (distance) P-C4' energy: -52.433
flat angles C4'-P-C4' energy: -58.816
flat angles P-C4'-P energy: -37.131
tors. eta vs tors. theta energy: -76.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -868.324701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.324701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.324701 (E_RNA)
where:
Base-Base interactions energy: -595.352
where: short stacking energy: -262.566
Base-Backbone interact. energy: 3.531
local terms energy: -276.503691
where:
bonds (distance) C4'-P energy: -50.783
bonds (distance) P-C4' energy: -50.681
flat angles C4'-P-C4' energy: -58.583
flat angles P-C4'-P energy: -35.585
tors. eta vs tors. theta energy: -80.873
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: 5
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -770.581193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.581193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.581193 (E_RNA)
where:
Base-Base interactions energy: -540.651
where: short stacking energy: -211.887
Base-Backbone interact. energy: -1.433
local terms energy: -228.497128
where:
bonds (distance) C4'-P energy: -44.268
bonds (distance) P-C4' energy: -49.905
flat angles C4'-P-C4' energy: -49.912
flat angles P-C4'-P energy: -28.373
tors. eta vs tors. theta energy: -56.038
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: 3
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -763.035530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.035530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.035530 (E_RNA)
where:
Base-Base interactions energy: -542.965
where: short stacking energy: -238.217
Base-Backbone interact. energy: -0.862
local terms energy: -219.208847
where:
bonds (distance) C4'-P energy: -36.708
bonds (distance) P-C4' energy: -46.675
flat angles C4'-P-C4' energy: -39.606
flat angles P-C4'-P energy: -33.795
tors. eta vs tors. theta energy: -62.425
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: 10
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -755.259981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.259981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.259981 (E_RNA)
where:
Base-Base interactions energy: -524.742
where: short stacking energy: -218.367
Base-Backbone interact. energy: -0.567
local terms energy: -229.951092
where:
bonds (distance) C4'-P energy: -38.499
bonds (distance) P-C4' energy: -51.389
flat angles C4'-P-C4' energy: -47.648
flat angles P-C4'-P energy: -39.511
tors. eta vs tors. theta energy: -52.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -701.025602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.025602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.025602 (E_RNA)
where:
Base-Base interactions energy: -471.774
where: short stacking energy: -188.639
Base-Backbone interact. energy: -1.044
local terms energy: -228.208365
where:
bonds (distance) C4'-P energy: -35.133
bonds (distance) P-C4' energy: -52.047
flat angles C4'-P-C4' energy: -57.456
flat angles P-C4'-P energy: -34.385
tors. eta vs tors. theta energy: -49.187
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: 9, replica: 9
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -451.137149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.137149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.137149 (E_RNA)
where:
Base-Base interactions energy: -265.895
where: short stacking energy: -125.873
Base-Backbone interact. energy: 0.978
local terms energy: -186.220403
where:
bonds (distance) C4'-P energy: -48.143
bonds (distance) P-C4' energy: -46.168
flat angles C4'-P-C4' energy: -51.835
flat angles P-C4'-P energy: -22.388
tors. eta vs tors. theta energy: -17.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -224.108654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.108654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.108654 (E_RNA)
where:
Base-Base interactions energy: -83.780
where: short stacking energy: -56.469
Base-Backbone interact. energy: -0.904
local terms energy: -139.424617
where:
bonds (distance) C4'-P energy: -41.108
bonds (distance) P-C4' energy: -44.379
flat angles C4'-P-C4' energy: -40.583
flat angles P-C4'-P energy: -23.950
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: 1, replica: 1
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -964.770322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.770322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.770322 (E_RNA)
where:
Base-Base interactions energy: -659.555
where: short stacking energy: -302.288
Base-Backbone interact. energy: -0.675
local terms energy: -304.539939
where:
bonds (distance) C4'-P energy: -58.057
bonds (distance) P-C4' energy: -52.533
flat angles C4'-P-C4' energy: -68.363
flat angles P-C4'-P energy: -35.982
tors. eta vs tors. theta energy: -89.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -941.247589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.247589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.247589 (E_RNA)
where:
Base-Base interactions energy: -649.480
where: short stacking energy: -284.895
Base-Backbone interact. energy: 0.218
local terms energy: -291.985437
where:
bonds (distance) C4'-P energy: -57.198
bonds (distance) P-C4' energy: -50.675
flat angles C4'-P-C4' energy: -59.070
flat angles P-C4'-P energy: -39.200
tors. eta vs tors. theta energy: -85.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -880.493681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.493681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.493681 (E_RNA)
where:
Base-Base interactions energy: -600.442
where: short stacking energy: -241.171
Base-Backbone interact. energy: 0.100
local terms energy: -280.151378
where:
bonds (distance) C4'-P energy: -47.524
bonds (distance) P-C4' energy: -48.259
flat angles C4'-P-C4' energy: -58.031
flat angles P-C4'-P energy: -40.122
tors. eta vs tors. theta energy: -86.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -862.348644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.348644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.348644 (E_RNA)
where:
Base-Base interactions energy: -603.088
where: short stacking energy: -269.877
Base-Backbone interact. energy: 1.536
local terms energy: -260.796906
where:
bonds (distance) C4'-P energy: -45.297
bonds (distance) P-C4' energy: -44.401
flat angles C4'-P-C4' energy: -56.084
flat angles P-C4'-P energy: -37.752
tors. eta vs tors. theta energy: -77.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -780.762791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.762791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.762791 (E_RNA)
where:
Base-Base interactions energy: -546.907
where: short stacking energy: -230.003
Base-Backbone interact. energy: 0.359
local terms energy: -234.214671
where:
bonds (distance) C4'-P energy: -41.531
bonds (distance) P-C4' energy: -47.107
flat angles C4'-P-C4' energy: -54.359
flat angles P-C4'-P energy: -36.045
tors. eta vs tors. theta energy: -55.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -808.257204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.257204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.257204 (E_RNA)
where:
Base-Base interactions energy: -551.398
where: short stacking energy: -235.242
Base-Backbone interact. energy: -0.586
local terms energy: -256.272812
where:
bonds (distance) C4'-P energy: -52.482
bonds (distance) P-C4' energy: -48.511
flat angles C4'-P-C4' energy: -48.695
flat angles P-C4'-P energy: -35.979
tors. eta vs tors. theta energy: -70.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -758.089131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.089131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.089131 (E_RNA)
where:
Base-Base interactions energy: -530.567
where: short stacking energy: -231.282
Base-Backbone interact. energy: -1.532
local terms energy: -225.989772
where:
bonds (distance) C4'-P energy: -29.139
bonds (distance) P-C4' energy: -47.804
flat angles C4'-P-C4' energy: -53.492
flat angles P-C4'-P energy: -36.507
tors. eta vs tors. theta energy: -59.047
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: 8, replica: 7
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -667.515944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.515944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.515944 (E_RNA)
where:
Base-Base interactions energy: -458.090
where: short stacking energy: -189.290
Base-Backbone interact. energy: -0.836
local terms energy: -208.589593
where:
bonds (distance) C4'-P energy: -39.377
bonds (distance) P-C4' energy: -45.290
flat angles C4'-P-C4' energy: -50.083
flat angles P-C4'-P energy: -31.510
tors. eta vs tors. theta energy: -42.330
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: 9, replica: 9
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -447.115270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.115270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.115270 (E_RNA)
where:
Base-Base interactions energy: -278.223
where: short stacking energy: -146.703
Base-Backbone interact. energy: -0.705
local terms energy: -168.187209
where:
bonds (distance) C4'-P energy: -40.384
bonds (distance) P-C4' energy: -37.788
flat angles C4'-P-C4' energy: -32.205
flat angles P-C4'-P energy: -24.294
tors. eta vs tors. theta energy: -33.516
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: 6
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -241.815460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.815460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.815460 (E_RNA)
where:
Base-Base interactions energy: -111.429
where: short stacking energy: -66.857
Base-Backbone interact. energy: 2.733
local terms energy: -133.119939
where:
bonds (distance) C4'-P energy: -28.620
bonds (distance) P-C4' energy: -43.827
flat angles C4'-P-C4' energy: -40.432
flat angles P-C4'-P energy: -16.238
tors. eta vs tors. theta energy: -4.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -956.134308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.134308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.134308 (E_RNA)
where:
Base-Base interactions energy: -670.308
where: short stacking energy: -290.018
Base-Backbone interact. energy: -1.982
local terms energy: -283.845070
where:
bonds (distance) C4'-P energy: -46.749
bonds (distance) P-C4' energy: -55.893
flat angles C4'-P-C4' energy: -61.462
flat angles P-C4'-P energy: -32.948
tors. eta vs tors. theta energy: -86.793
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: 2
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -939.796083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.796083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.796083 (E_RNA)
where:
Base-Base interactions energy: -665.059
where: short stacking energy: -275.242
Base-Backbone interact. energy: -1.278
local terms energy: -273.459240
where:
bonds (distance) C4'-P energy: -43.334
bonds (distance) P-C4' energy: -50.809
flat angles C4'-P-C4' energy: -54.662
flat angles P-C4'-P energy: -38.299
tors. eta vs tors. theta energy: -86.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -893.970495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.970495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.970495 (E_RNA)
where:
Base-Base interactions energy: -620.389
where: short stacking energy: -263.062
Base-Backbone interact. energy: -0.814
local terms energy: -272.767677
where:
bonds (distance) C4'-P energy: -49.329
bonds (distance) P-C4' energy: -54.600
flat angles C4'-P-C4' energy: -56.396
flat angles P-C4'-P energy: -36.113
tors. eta vs tors. theta energy: -76.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -856.290909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.290909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.290909 (E_RNA)
where:
Base-Base interactions energy: -596.931
where: short stacking energy: -240.093
Base-Backbone interact. energy: -0.509
local terms energy: -258.850796
where:
bonds (distance) C4'-P energy: -44.508
bonds (distance) P-C4' energy: -54.350
flat angles C4'-P-C4' energy: -49.279
flat angles P-C4'-P energy: -34.689
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: 5, replica: 10
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -797.062841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.062841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.062841 (E_RNA)
where:
Base-Base interactions energy: -546.142
where: short stacking energy: -239.468
Base-Backbone interact. energy: -1.515
local terms energy: -249.405862
where:
bonds (distance) C4'-P energy: -41.023
bonds (distance) P-C4' energy: -50.057
flat angles C4'-P-C4' energy: -54.871
flat angles P-C4'-P energy: -39.932
tors. eta vs tors. theta energy: -63.522
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: 6, replica: 5
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -748.251070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.251070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.251070 (E_RNA)
where:
Base-Base interactions energy: -516.797
where: short stacking energy: -212.420
Base-Backbone interact. energy: 1.255
local terms energy: -232.709289
where:
bonds (distance) C4'-P energy: -49.604
bonds (distance) P-C4' energy: -44.176
flat angles C4'-P-C4' energy: -49.371
flat angles P-C4'-P energy: -32.508
tors. eta vs tors. theta energy: -57.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -752.176001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.176001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.176001 (E_RNA)
where:
Base-Base interactions energy: -521.420
where: short stacking energy: -221.084
Base-Backbone interact. energy: -0.814
local terms energy: -229.942197
where:
bonds (distance) C4'-P energy: -54.953
bonds (distance) P-C4' energy: -33.044
flat angles C4'-P-C4' energy: -50.943
flat angles P-C4'-P energy: -30.800
tors. eta vs tors. theta energy: -60.201
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: 8, replica: 7
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -652.298854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.298854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.298854 (E_RNA)
where:
Base-Base interactions energy: -445.480
where: short stacking energy: -165.224
Base-Backbone interact. energy: -0.557
local terms energy: -206.262214
where:
bonds (distance) C4'-P energy: -40.081
bonds (distance) P-C4' energy: -43.997
flat angles C4'-P-C4' energy: -51.097
flat angles P-C4'-P energy: -26.120
tors. eta vs tors. theta energy: -44.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -458.211793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.211793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.211793 (E_RNA)
where:
Base-Base interactions energy: -289.985
where: short stacking energy: -129.539
Base-Backbone interact. energy: -1.318
local terms energy: -166.908708
where:
bonds (distance) C4'-P energy: -37.551
bonds (distance) P-C4' energy: -45.381
flat angles C4'-P-C4' energy: -39.808
flat angles P-C4'-P energy: -27.272
tors. eta vs tors. theta energy: -16.898
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: 6
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -241.141874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.141874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.141874 (E_RNA)
where:
Base-Base interactions energy: -98.451
where: short stacking energy: -65.684
Base-Backbone interact. energy: -0.917
local terms energy: -141.774055
where:
bonds (distance) C4'-P energy: -40.110
bonds (distance) P-C4' energy: -44.968
flat angles C4'-P-C4' energy: -35.043
flat angles P-C4'-P energy: -31.764
tors. eta vs tors. theta energy: 10.111
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: 1
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -965.957175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.957175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.957175 (E_RNA)
where:
Base-Base interactions energy: -669.971
where: short stacking energy: -299.164
Base-Backbone interact. energy: 0.405
local terms energy: -296.391423
where:
bonds (distance) C4'-P energy: -50.996
bonds (distance) P-C4' energy: -53.967
flat angles C4'-P-C4' energy: -58.831
flat angles P-C4'-P energy: -45.288
tors. eta vs tors. theta energy: -87.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -939.066745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.066745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.066745 (E_RNA)
where:
Base-Base interactions energy: -651.858
where: short stacking energy: -282.081
Base-Backbone interact. energy: -0.852
local terms energy: -286.356733
where:
bonds (distance) C4'-P energy: -44.915
bonds (distance) P-C4' energy: -51.995
flat angles C4'-P-C4' energy: -62.101
flat angles P-C4'-P energy: -43.674
tors. eta vs tors. theta energy: -83.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -883.970858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.970858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.970858 (E_RNA)
where:
Base-Base interactions energy: -611.914
where: short stacking energy: -266.908
Base-Backbone interact. energy: 0.095
local terms energy: -272.151962
where:
bonds (distance) C4'-P energy: -38.843
bonds (distance) P-C4' energy: -50.786
flat angles C4'-P-C4' energy: -56.406
flat angles P-C4'-P energy: -44.533
tors. eta vs tors. theta energy: -81.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -866.149846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.149846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.149846 (E_RNA)
where:
Base-Base interactions energy: -590.440
where: short stacking energy: -249.395
Base-Backbone interact. energy: -1.966
local terms energy: -273.743992
where:
bonds (distance) C4'-P energy: -49.355
bonds (distance) P-C4' energy: -57.521
flat angles C4'-P-C4' energy: -56.238
flat angles P-C4'-P energy: -33.114
tors. eta vs tors. theta energy: -77.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -805.485980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.485980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.485980 (E_RNA)
where:
Base-Base interactions energy: -543.206
where: short stacking energy: -231.965
Base-Backbone interact. energy: -0.164
local terms energy: -262.115844
where:
bonds (distance) C4'-P energy: -59.225
bonds (distance) P-C4' energy: -46.284
flat angles C4'-P-C4' energy: -54.525
flat angles P-C4'-P energy: -34.095
tors. eta vs tors. theta energy: -67.987
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: 3
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -762.649850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.649850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.649850 (E_RNA)
where:
Base-Base interactions energy: -531.502
where: short stacking energy: -221.217
Base-Backbone interact. energy: -0.262
local terms energy: -230.886328
where:
bonds (distance) C4'-P energy: -38.942
bonds (distance) P-C4' energy: -53.936
flat angles C4'-P-C4' energy: -46.354
flat angles P-C4'-P energy: -29.936
tors. eta vs tors. theta energy: -61.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -736.556660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.556660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.556660 (E_RNA)
where:
Base-Base interactions energy: -495.237
where: short stacking energy: -214.697
Base-Backbone interact. energy: 0.914
local terms energy: -242.234283
where:
bonds (distance) C4'-P energy: -42.359
bonds (distance) P-C4' energy: -48.208
flat angles C4'-P-C4' energy: -47.198
flat angles P-C4'-P energy: -40.784
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: 8, replica: 7
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -703.587951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.587951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.587951 (E_RNA)
where:
Base-Base interactions energy: -482.016
where: short stacking energy: -186.426
Base-Backbone interact. energy: 1.262
local terms energy: -222.834749
where:
bonds (distance) C4'-P energy: -47.655
bonds (distance) P-C4' energy: -44.822
flat angles C4'-P-C4' energy: -54.342
flat angles P-C4'-P energy: -32.376
tors. eta vs tors. theta energy: -43.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -496.117946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.117946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.117946 (E_RNA)
where:
Base-Base interactions energy: -311.214
where: short stacking energy: -163.624
Base-Backbone interact. energy: 5.197
local terms energy: -190.100645
where:
bonds (distance) C4'-P energy: -39.154
bonds (distance) P-C4' energy: -42.707
flat angles C4'-P-C4' energy: -54.266
flat angles P-C4'-P energy: -22.861
tors. eta vs tors. theta energy: -31.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -219.436359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.436359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.436359 (E_RNA)
where:
Base-Base interactions energy: -66.344
where: short stacking energy: -50.271
Base-Backbone interact. energy: 2.758
local terms energy: -155.850725
where:
bonds (distance) C4'-P energy: -39.327
bonds (distance) P-C4' energy: -50.886
flat angles C4'-P-C4' energy: -34.654
flat angles P-C4'-P energy: -33.817
tors. eta vs tors. theta energy: 2.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -950.938184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.938184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.938184 (E_RNA)
where:
Base-Base interactions energy: -656.773
where: short stacking energy: -293.837
Base-Backbone interact. energy: -0.776
local terms energy: -293.389991
where:
bonds (distance) C4'-P energy: -47.428
bonds (distance) P-C4' energy: -53.508
flat angles C4'-P-C4' energy: -56.828
flat angles P-C4'-P energy: -43.378
tors. eta vs tors. theta energy: -92.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -964.078320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.078320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.078320 (E_RNA)
where:
Base-Base interactions energy: -672.545
where: short stacking energy: -278.980
Base-Backbone interact. energy: -0.640
local terms energy: -290.893329
where:
bonds (distance) C4'-P energy: -56.430
bonds (distance) P-C4' energy: -50.306
flat angles C4'-P-C4' energy: -60.466
flat angles P-C4'-P energy: -44.145
tors. eta vs tors. theta energy: -79.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -858.105140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.105140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.105140 (E_RNA)
where:
Base-Base interactions energy: -579.900
where: short stacking energy: -257.663
Base-Backbone interact. energy: -0.902
local terms energy: -277.303375
where:
bonds (distance) C4'-P energy: -52.909
bonds (distance) P-C4' energy: -59.436
flat angles C4'-P-C4' energy: -55.175
flat angles P-C4'-P energy: -35.822
tors. eta vs tors. theta energy: -73.962
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: 8
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -859.389696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.389696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.389696 (E_RNA)
where:
Base-Base interactions energy: -595.412
where: short stacking energy: -247.328
Base-Backbone interact. energy: 1.145
local terms energy: -265.122292
where:
bonds (distance) C4'-P energy: -44.757
bonds (distance) P-C4' energy: -44.629
flat angles C4'-P-C4' energy: -58.732
flat angles P-C4'-P energy: -44.390
tors. eta vs tors. theta energy: -72.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -811.150682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.150682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.150682 (E_RNA)
where:
Base-Base interactions energy: -562.115
where: short stacking energy: -225.034
Base-Backbone interact. energy: -0.280
local terms energy: -248.755906
where:
bonds (distance) C4'-P energy: -41.602
bonds (distance) P-C4' energy: -51.771
flat angles C4'-P-C4' energy: -55.257
flat angles P-C4'-P energy: -35.797
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: 3
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -785.098231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.098231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.098231 (E_RNA)
where:
Base-Base interactions energy: -560.649
where: short stacking energy: -216.044
Base-Backbone interact. energy: -1.067
local terms energy: -223.382861
where:
bonds (distance) C4'-P energy: -43.594
bonds (distance) P-C4' energy: -43.889
flat angles C4'-P-C4' energy: -49.303
flat angles P-C4'-P energy: -26.842
tors. eta vs tors. theta energy: -59.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -740.803947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.803947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.803947 (E_RNA)
where:
Base-Base interactions energy: -514.708
where: short stacking energy: -219.144
Base-Backbone interact. energy: -0.708
local terms energy: -225.387545
where:
bonds (distance) C4'-P energy: -46.675
bonds (distance) P-C4' energy: -39.918
flat angles C4'-P-C4' energy: -51.813
flat angles P-C4'-P energy: -33.743
tors. eta vs tors. theta energy: -53.238
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: 5
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -732.309964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.309964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.309964 (E_RNA)
where:
Base-Base interactions energy: -498.762
where: short stacking energy: -206.854
Base-Backbone interact. energy: -0.560
local terms energy: -232.988099
where:
bonds (distance) C4'-P energy: -33.849
bonds (distance) P-C4' energy: -52.227
flat angles C4'-P-C4' energy: -57.093
flat angles P-C4'-P energy: -28.590
tors. eta vs tors. theta energy: -61.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -489.098971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.098971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.098971 (E_RNA)
where:
Base-Base interactions energy: -310.730
where: short stacking energy: -139.761
Base-Backbone interact. energy: 1.185
local terms energy: -179.553167
where:
bonds (distance) C4'-P energy: -44.920
bonds (distance) P-C4' energy: -46.134
flat angles C4'-P-C4' energy: -47.855
flat angles P-C4'-P energy: -18.774
tors. eta vs tors. theta energy: -21.869
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: 6
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -215.050676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.050676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.050676 (E_RNA)
where:
Base-Base interactions energy: -72.022
where: short stacking energy: -63.839
Base-Backbone interact. energy: -0.128
local terms energy: -142.900345
where:
bonds (distance) C4'-P energy: -35.615
bonds (distance) P-C4' energy: -57.287
flat angles C4'-P-C4' energy: -36.277
flat angles P-C4'-P energy: -23.091
tors. eta vs tors. theta energy: 9.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -963.293247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.293247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.293247 (E_RNA)
where:
Base-Base interactions energy: -665.673
where: short stacking energy: -289.253
Base-Backbone interact. energy: 0.648
local terms energy: -298.268829
where:
bonds (distance) C4'-P energy: -58.286
bonds (distance) P-C4' energy: -53.992
flat angles C4'-P-C4' energy: -57.863
flat angles P-C4'-P energy: -41.036
tors. eta vs tors. theta energy: -87.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -940.499738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.499738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.499738 (E_RNA)
where:
Base-Base interactions energy: -672.690
where: short stacking energy: -276.895
Base-Backbone interact. energy: 0.259
local terms energy: -268.068304
where:
bonds (distance) C4'-P energy: -46.751
bonds (distance) P-C4' energy: -47.696
flat angles C4'-P-C4' energy: -58.913
flat angles P-C4'-P energy: -38.779
tors. eta vs tors. theta energy: -75.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -861.134844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.134844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.134844 (E_RNA)
where:
Base-Base interactions energy: -596.260
where: short stacking energy: -253.622
Base-Backbone interact. energy: -0.654
local terms energy: -264.220228
where:
bonds (distance) C4'-P energy: -49.253
bonds (distance) P-C4' energy: -51.915
flat angles C4'-P-C4' energy: -54.556
flat angles P-C4'-P energy: -33.354
tors. eta vs tors. theta energy: -75.142
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: 8
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -853.429144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.429144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.429144 (E_RNA)
where:
Base-Base interactions energy: -586.555
where: short stacking energy: -239.788
Base-Backbone interact. energy: -1.064
local terms energy: -265.810535
where:
bonds (distance) C4'-P energy: -47.445
bonds (distance) P-C4' energy: -52.249
flat angles C4'-P-C4' energy: -54.393
flat angles P-C4'-P energy: -40.582
tors. eta vs tors. theta energy: -71.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -812.084836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.084836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.084836 (E_RNA)
where:
Base-Base interactions energy: -555.637
where: short stacking energy: -232.998
Base-Backbone interact. energy: -0.958
local terms energy: -255.489558
where:
bonds (distance) C4'-P energy: -48.059
bonds (distance) P-C4' energy: -37.872
flat angles C4'-P-C4' energy: -56.401
flat angles P-C4'-P energy: -41.324
tors. eta vs tors. theta energy: -71.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -799.932120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.932120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.932120 (E_RNA)
where:
Base-Base interactions energy: -554.403
where: short stacking energy: -222.796
Base-Backbone interact. energy: -0.251
local terms energy: -245.277551
where:
bonds (distance) C4'-P energy: -51.429
bonds (distance) P-C4' energy: -44.942
flat angles C4'-P-C4' energy: -59.007
flat angles P-C4'-P energy: -28.059
tors. eta vs tors. theta energy: -61.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -762.857528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.857528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.857528 (E_RNA)
where:
Base-Base interactions energy: -538.795
where: short stacking energy: -244.250
Base-Backbone interact. energy: -0.162
local terms energy: -223.900556
where:
bonds (distance) C4'-P energy: -49.483
bonds (distance) P-C4' energy: -36.763
flat angles C4'-P-C4' energy: -44.057
flat angles P-C4'-P energy: -25.807
tors. eta vs tors. theta energy: -67.790
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: 5
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -710.578672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.578672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.578672 (E_RNA)
where:
Base-Base interactions energy: -476.213
where: short stacking energy: -200.499
Base-Backbone interact. energy: -1.303
local terms energy: -233.062227
where:
bonds (distance) C4'-P energy: -40.805
bonds (distance) P-C4' energy: -52.243
flat angles C4'-P-C4' energy: -46.806
flat angles P-C4'-P energy: -32.180
tors. eta vs tors. theta energy: -61.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -499.939043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.939043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.939043 (E_RNA)
where:
Base-Base interactions energy: -301.815
where: short stacking energy: -131.283
Base-Backbone interact. energy: 3.530
local terms energy: -201.654353
where:
bonds (distance) C4'-P energy: -43.115
bonds (distance) P-C4' energy: -55.004
flat angles C4'-P-C4' energy: -43.037
flat angles P-C4'-P energy: -34.955
tors. eta vs tors. theta energy: -25.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -225.857781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.857781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.857781 (E_RNA)
where:
Base-Base interactions energy: -89.784
where: short stacking energy: -80.568
Base-Backbone interact. energy: 0.509
local terms energy: -136.582394
where:
bonds (distance) C4'-P energy: -41.546
bonds (distance) P-C4' energy: -44.555
flat angles C4'-P-C4' energy: -35.795
flat angles P-C4'-P energy: -12.202
tors. eta vs tors. theta energy: -2.484
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: 1, replica: 1
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -973.295110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.295110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.295110 (E_RNA)
where:
Base-Base interactions energy: -665.340
where: short stacking energy: -306.311
Base-Backbone interact. energy: -1.061
local terms energy: -306.893467
where:
bonds (distance) C4'-P energy: -48.377
bonds (distance) P-C4' energy: -51.769
flat angles C4'-P-C4' energy: -66.472
flat angles P-C4'-P energy: -50.855
tors. eta vs tors. theta energy: -89.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -936.191101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.191101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.191101 (E_RNA)
where:
Base-Base interactions energy: -662.338
where: short stacking energy: -273.659
Base-Backbone interact. energy: -0.278
local terms energy: -273.574947
where:
bonds (distance) C4'-P energy: -47.912
bonds (distance) P-C4' energy: -53.910
flat angles C4'-P-C4' energy: -54.293
flat angles P-C4'-P energy: -38.780
tors. eta vs tors. theta energy: -78.681
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: 4
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -881.878231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.878231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.878231 (E_RNA)
where:
Base-Base interactions energy: -619.372
where: short stacking energy: -271.753
Base-Backbone interact. energy: -1.072
local terms energy: -261.434204
where:
bonds (distance) C4'-P energy: -52.426
bonds (distance) P-C4' energy: -41.143
flat angles C4'-P-C4' energy: -55.847
flat angles P-C4'-P energy: -35.787
tors. eta vs tors. theta energy: -76.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -843.468836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.468836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.468836 (E_RNA)
where:
Base-Base interactions energy: -577.343
where: short stacking energy: -255.485
Base-Backbone interact. energy: -0.363
local terms energy: -265.762807
where:
bonds (distance) C4'-P energy: -48.969
bonds (distance) P-C4' energy: -53.107
flat angles C4'-P-C4' energy: -49.368
flat angles P-C4'-P energy: -34.395
tors. eta vs tors. theta energy: -79.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -834.911295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.911295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.911295 (E_RNA)
where:
Base-Base interactions energy: -578.811
where: short stacking energy: -240.082
Base-Backbone interact. energy: -1.098
local terms energy: -255.002670
where:
bonds (distance) C4'-P energy: -45.569
bonds (distance) P-C4' energy: -41.456
flat angles C4'-P-C4' energy: -57.106
flat angles P-C4'-P energy: -41.643
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: 6, replica: 3
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -789.260226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.260226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.260226 (E_RNA)
where:
Base-Base interactions energy: -547.380
where: short stacking energy: -218.208
Base-Backbone interact. energy: -0.116
local terms energy: -241.763246
where:
bonds (distance) C4'-P energy: -42.599
bonds (distance) P-C4' energy: -52.339
flat angles C4'-P-C4' energy: -47.962
flat angles P-C4'-P energy: -31.653
tors. eta vs tors. theta energy: -67.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -716.726488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.726488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.726488 (E_RNA)
where:
Base-Base interactions energy: -489.441
where: short stacking energy: -203.202
Base-Backbone interact. energy: -1.043
local terms energy: -226.242906
where:
bonds (distance) C4'-P energy: -40.310
bonds (distance) P-C4' energy: -46.592
flat angles C4'-P-C4' energy: -42.595
flat angles P-C4'-P energy: -36.763
tors. eta vs tors. theta energy: -59.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -668.980283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.980283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.980283 (E_RNA)
where:
Base-Base interactions energy: -465.995
where: short stacking energy: -193.507
Base-Backbone interact. energy: -0.392
local terms energy: -202.593880
where:
bonds (distance) C4'-P energy: -33.512
bonds (distance) P-C4' energy: -41.426
flat angles C4'-P-C4' energy: -46.884
flat angles P-C4'-P energy: -25.894
tors. eta vs tors. theta energy: -54.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -514.634074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.634074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.634074 (E_RNA)
where:
Base-Base interactions energy: -311.871
where: short stacking energy: -143.653
Base-Backbone interact. energy: 0.447
local terms energy: -203.210475
where:
bonds (distance) C4'-P energy: -39.930
bonds (distance) P-C4' energy: -46.965
flat angles C4'-P-C4' energy: -52.106
flat angles P-C4'-P energy: -26.926
tors. eta vs tors. theta energy: -37.283
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: 6
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -254.114256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.114256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.114256 (E_RNA)
where:
Base-Base interactions energy: -86.586
where: short stacking energy: -83.468
Base-Backbone interact. energy: -0.571
local terms energy: -166.956385
where:
bonds (distance) C4'-P energy: -44.391
bonds (distance) P-C4' energy: -52.160
flat angles C4'-P-C4' energy: -34.100
flat angles P-C4'-P energy: -23.423
tors. eta vs tors. theta energy: -12.882
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: 1
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -959.802200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.802200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.802200 (E_RNA)
where:
Base-Base interactions energy: -684.182
where: short stacking energy: -289.068
Base-Backbone interact. energy: -1.925
local terms energy: -273.694923
where:
bonds (distance) C4'-P energy: -43.006
bonds (distance) P-C4' energy: -48.149
flat angles C4'-P-C4' energy: -59.456
flat angles P-C4'-P energy: -38.002
tors. eta vs tors. theta energy: -85.083
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: 257
Temperature: 0.950000
Total energy: -919.902516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.902516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.902516 (E_RNA)
where:
Base-Base interactions energy: -632.087
where: short stacking energy: -273.028
Base-Backbone interact. energy: -0.805
local terms energy: -287.010130
where:
bonds (distance) C4'-P energy: -59.922
bonds (distance) P-C4' energy: -45.204
flat angles C4'-P-C4' energy: -59.195
flat angles P-C4'-P energy: -39.226
tors. eta vs tors. theta energy: -83.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -872.446497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.446497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.446497 (E_RNA)
where:
Base-Base interactions energy: -605.295
where: short stacking energy: -247.680
Base-Backbone interact. energy: -0.459
local terms energy: -266.692872
where:
bonds (distance) C4'-P energy: -45.168
bonds (distance) P-C4' energy: -46.907
flat angles C4'-P-C4' energy: -60.553
flat angles P-C4'-P energy: -41.262
tors. eta vs tors. theta energy: -72.803
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: 8
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -848.273362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.273362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.273362 (E_RNA)
where:
Base-Base interactions energy: -593.068
where: short stacking energy: -259.466
Base-Backbone interact. energy: 3.190
local terms energy: -258.395794
where:
bonds (distance) C4'-P energy: -45.450
bonds (distance) P-C4' energy: -45.550
flat angles C4'-P-C4' energy: -49.362
flat angles P-C4'-P energy: -44.814
tors. eta vs tors. theta energy: -73.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -815.410937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.410937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.410937 (E_RNA)
where:
Base-Base interactions energy: -558.563
where: short stacking energy: -238.395
Base-Backbone interact. energy: 0.431
local terms energy: -257.278844
where:
bonds (distance) C4'-P energy: -49.466
bonds (distance) P-C4' energy: -48.995
flat angles C4'-P-C4' energy: -49.075
flat angles P-C4'-P energy: -39.380
tors. eta vs tors. theta energy: -70.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -789.058568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.058568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.058568 (E_RNA)
where:
Base-Base interactions energy: -544.587
where: short stacking energy: -220.492
Base-Backbone interact. energy: -0.122
local terms energy: -244.349971
where:
bonds (distance) C4'-P energy: -43.917
bonds (distance) P-C4' energy: -51.421
flat angles C4'-P-C4' energy: -49.766
flat angles P-C4'-P energy: -41.209
tors. eta vs tors. theta energy: -58.038
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: 5
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -733.873181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.873181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.873181 (E_RNA)
where:
Base-Base interactions energy: -498.203
where: short stacking energy: -202.054
Base-Backbone interact. energy: 0.058
local terms energy: -235.728734
where:
bonds (distance) C4'-P energy: -41.577
bonds (distance) P-C4' energy: -51.945
flat angles C4'-P-C4' energy: -53.673
flat angles P-C4'-P energy: -34.341
tors. eta vs tors. theta energy: -54.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -638.011337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.011337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.011337 (E_RNA)
where:
Base-Base interactions energy: -437.260
where: short stacking energy: -184.096
Base-Backbone interact. energy: -0.483
local terms energy: -200.268007
where:
bonds (distance) C4'-P energy: -52.288
bonds (distance) P-C4' energy: -39.654
flat angles C4'-P-C4' energy: -28.380
flat angles P-C4'-P energy: -37.819
tors. eta vs tors. theta energy: -42.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -464.986960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.986960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.986960 (E_RNA)
where:
Base-Base interactions energy: -273.011
where: short stacking energy: -143.678
Base-Backbone interact. energy: 1.963
local terms energy: -193.938404
where:
bonds (distance) C4'-P energy: -39.072
bonds (distance) P-C4' energy: -54.751
flat angles C4'-P-C4' energy: -46.205
flat angles P-C4'-P energy: -23.521
tors. eta vs tors. theta energy: -30.389
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: 6
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -222.474750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.474750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.474750 (E_RNA)
where:
Base-Base interactions energy: -83.759
where: short stacking energy: -74.995
Base-Backbone interact. energy: -1.292
local terms energy: -137.423700
where:
bonds (distance) C4'-P energy: -41.020
bonds (distance) P-C4' energy: -49.141
flat angles C4'-P-C4' energy: -37.154
flat angles P-C4'-P energy: -17.240
tors. eta vs tors. theta energy: 7.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -949.456964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.456964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.456964 (E_RNA)
where:
Base-Base interactions energy: -650.879
where: short stacking energy: -297.101
Base-Backbone interact. energy: -1.805
local terms energy: -296.772704
where:
bonds (distance) C4'-P energy: -53.613
bonds (distance) P-C4' energy: -53.590
flat angles C4'-P-C4' energy: -60.473
flat angles P-C4'-P energy: -43.641
tors. eta vs tors. theta energy: -85.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -931.528184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.528184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.528184 (E_RNA)
where:
Base-Base interactions energy: -650.909
where: short stacking energy: -282.712
Base-Backbone interact. energy: -2.187
local terms energy: -278.432095
where:
bonds (distance) C4'-P energy: -47.664
bonds (distance) P-C4' energy: -50.010
flat angles C4'-P-C4' energy: -61.188
flat angles P-C4'-P energy: -36.615
tors. eta vs tors. theta energy: -82.955
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: 4
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -872.096424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.096424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.096424 (E_RNA)
where:
Base-Base interactions energy: -604.293
where: short stacking energy: -257.601
Base-Backbone interact. energy: -0.668
local terms energy: -267.135716
where:
bonds (distance) C4'-P energy: -48.486
bonds (distance) P-C4' energy: -46.933
flat angles C4'-P-C4' energy: -56.290
flat angles P-C4'-P energy: -41.521
tors. eta vs tors. theta energy: -73.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -842.357750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.357750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.357750 (E_RNA)
where:
Base-Base interactions energy: -577.006
where: short stacking energy: -231.958
Base-Backbone interact. energy: -1.446
local terms energy: -263.905441
where:
bonds (distance) C4'-P energy: -39.955
bonds (distance) P-C4' energy: -59.245
flat angles C4'-P-C4' energy: -56.710
flat angles P-C4'-P energy: -39.494
tors. eta vs tors. theta energy: -68.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -812.273569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.273569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.273569 (E_RNA)
where:
Base-Base interactions energy: -558.582
where: short stacking energy: -223.243
Base-Backbone interact. energy: -0.335
local terms energy: -253.356105
where:
bonds (distance) C4'-P energy: -42.282
bonds (distance) P-C4' energy: -51.188
flat angles C4'-P-C4' energy: -48.583
flat angles P-C4'-P energy: -41.328
tors. eta vs tors. theta energy: -69.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -780.838347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.838347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.838347 (E_RNA)
where:
Base-Base interactions energy: -539.651
where: short stacking energy: -224.096
Base-Backbone interact. energy: 2.948
local terms energy: -244.135906
where:
bonds (distance) C4'-P energy: -49.005
bonds (distance) P-C4' energy: -52.334
flat angles C4'-P-C4' energy: -42.759
flat angles P-C4'-P energy: -33.752
tors. eta vs tors. theta energy: -66.286
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: 5
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -718.855733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.855733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.855733 (E_RNA)
where:
Base-Base interactions energy: -492.709
where: short stacking energy: -195.461
Base-Backbone interact. energy: -1.372
local terms energy: -224.774196
where:
bonds (distance) C4'-P energy: -45.426
bonds (distance) P-C4' energy: -49.904
flat angles C4'-P-C4' energy: -50.954
flat angles P-C4'-P energy: -25.546
tors. eta vs tors. theta energy: -52.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -707.725541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.725541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.725541 (E_RNA)
where:
Base-Base interactions energy: -485.622
where: short stacking energy: -187.965
Base-Backbone interact. energy: -0.651
local terms energy: -221.452337
where:
bonds (distance) C4'-P energy: -41.952
bonds (distance) P-C4' energy: -48.381
flat angles C4'-P-C4' energy: -52.820
flat angles P-C4'-P energy: -30.197
tors. eta vs tors. theta energy: -48.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -458.776464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.776464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.776464 (E_RNA)
where:
Base-Base interactions energy: -278.737
where: short stacking energy: -140.881
Base-Backbone interact. energy: -2.375
local terms energy: -177.664526
where:
bonds (distance) C4'-P energy: -36.916
bonds (distance) P-C4' energy: -41.041
flat angles C4'-P-C4' energy: -47.016
flat angles P-C4'-P energy: -26.842
tors. eta vs tors. theta energy: -25.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -246.281632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.281632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.281632 (E_RNA)
where:
Base-Base interactions energy: -111.326
where: short stacking energy: -71.241
Base-Backbone interact. energy: -0.737
local terms energy: -134.219264
where:
bonds (distance) C4'-P energy: -39.244
bonds (distance) P-C4' energy: -39.828
flat angles C4'-P-C4' energy: -37.952
flat angles P-C4'-P energy: -27.076
tors. eta vs tors. theta energy: 9.881
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: 1
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -942.799989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.799989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.799989 (E_RNA)
where:
Base-Base interactions energy: -639.029
where: short stacking energy: -280.649
Base-Backbone interact. energy: -0.880
local terms energy: -302.891213
where:
bonds (distance) C4'-P energy: -56.153
bonds (distance) P-C4' energy: -49.235
flat angles C4'-P-C4' energy: -61.392
flat angles P-C4'-P energy: -45.554
tors. eta vs tors. theta energy: -90.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -942.394049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.394049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.394049 (E_RNA)
where:
Base-Base interactions energy: -659.399
where: short stacking energy: -287.141
Base-Backbone interact. energy: -0.588
local terms energy: -282.406913
where:
bonds (distance) C4'-P energy: -50.032
bonds (distance) P-C4' energy: -45.516
flat angles C4'-P-C4' energy: -60.125
flat angles P-C4'-P energy: -40.687
tors. eta vs tors. theta energy: -86.047
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: 4
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -888.234794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.234794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.234794 (E_RNA)
where:
Base-Base interactions energy: -612.152
where: short stacking energy: -256.156
Base-Backbone interact. energy: -0.887
local terms energy: -275.196454
where:
bonds (distance) C4'-P energy: -57.082
bonds (distance) P-C4' energy: -52.185
flat angles C4'-P-C4' energy: -55.539
flat angles P-C4'-P energy: -31.709
tors. eta vs tors. theta energy: -78.682
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: 8
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -853.051015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.051015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.051015 (E_RNA)
where:
Base-Base interactions energy: -588.418
where: short stacking energy: -253.966
Base-Backbone interact. energy: 1.955
local terms energy: -266.587445
where:
bonds (distance) C4'-P energy: -44.958
bonds (distance) P-C4' energy: -45.000
flat angles C4'-P-C4' energy: -59.071
flat angles P-C4'-P energy: -37.071
tors. eta vs tors. theta energy: -80.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -807.469862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.469862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.469862 (E_RNA)
where:
Base-Base interactions energy: -551.236
where: short stacking energy: -237.665
Base-Backbone interact. energy: -0.288
local terms energy: -255.945498
where:
bonds (distance) C4'-P energy: -40.126
bonds (distance) P-C4' energy: -54.632
flat angles C4'-P-C4' energy: -49.086
flat angles P-C4'-P energy: -38.329
tors. eta vs tors. theta energy: -73.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -784.461978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.461978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.461978 (E_RNA)
where:
Base-Base interactions energy: -550.903
where: short stacking energy: -242.290
Base-Backbone interact. energy: -0.283
local terms energy: -233.276418
where:
bonds (distance) C4'-P energy: -39.090
bonds (distance) P-C4' energy: -36.547
flat angles C4'-P-C4' energy: -45.806
flat angles P-C4'-P energy: -39.222
tors. eta vs tors. theta energy: -72.611
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: 7, replica: 5
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -747.233749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.233749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.233749 (E_RNA)
where:
Base-Base interactions energy: -511.939
where: short stacking energy: -225.221
Base-Backbone interact. energy: 1.815
local terms energy: -237.109823
where:
bonds (distance) C4'-P energy: -47.755
bonds (distance) P-C4' energy: -44.936
flat angles C4'-P-C4' energy: -52.593
flat angles P-C4'-P energy: -29.089
tors. eta vs tors. theta energy: -62.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -714.025318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.025318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.025318 (E_RNA)
where:
Base-Base interactions energy: -497.179
where: short stacking energy: -190.353
Base-Backbone interact. energy: -1.092
local terms energy: -215.753986
where:
bonds (distance) C4'-P energy: -30.162
bonds (distance) P-C4' energy: -52.090
flat angles C4'-P-C4' energy: -45.030
flat angles P-C4'-P energy: -37.754
tors. eta vs tors. theta energy: -50.718
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: 259
Temperature: 1.300000
Total energy: -457.497600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.497600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.497600 (E_RNA)
where:
Base-Base interactions energy: -275.644
where: short stacking energy: -125.320
Base-Backbone interact. energy: -0.214
local terms energy: -181.638789
where:
bonds (distance) C4'-P energy: -43.893
bonds (distance) P-C4' energy: -55.833
flat angles C4'-P-C4' energy: -38.933
flat angles P-C4'-P energy: -25.619
tors. eta vs tors. theta energy: -17.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -301.992359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.992359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.992359 (E_RNA)
where:
Base-Base interactions energy: -145.620
where: short stacking energy: -89.321
Base-Backbone interact. energy: -0.521
local terms energy: -155.850828
where:
bonds (distance) C4'-P energy: -34.603
bonds (distance) P-C4' energy: -50.075
flat angles C4'-P-C4' energy: -42.522
flat angles P-C4'-P energy: -18.685
tors. eta vs tors. theta energy: -9.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -943.844998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.844998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.844998 (E_RNA)
where:
Base-Base interactions energy: -661.807
where: short stacking energy: -282.298
Base-Backbone interact. energy: -1.857
local terms energy: -280.181083
where:
bonds (distance) C4'-P energy: -51.177
bonds (distance) P-C4' energy: -47.667
flat angles C4'-P-C4' energy: -57.053
flat angles P-C4'-P energy: -38.418
tors. eta vs tors. theta energy: -85.866
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: 1
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -924.598695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.598695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.598695 (E_RNA)
where:
Base-Base interactions energy: -644.764
where: short stacking energy: -279.804
Base-Backbone interact. energy: -2.036
local terms energy: -277.798784
where:
bonds (distance) C4'-P energy: -48.979
bonds (distance) P-C4' energy: -40.296
flat angles C4'-P-C4' energy: -58.597
flat angles P-C4'-P energy: -44.769
tors. eta vs tors. theta energy: -85.158
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: 4
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -875.021666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.021666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.021666 (E_RNA)
where:
Base-Base interactions energy: -618.008
where: short stacking energy: -260.055
Base-Backbone interact. energy: -0.758
local terms energy: -256.256341
where:
bonds (distance) C4'-P energy: -50.486
bonds (distance) P-C4' energy: -45.387
flat angles C4'-P-C4' energy: -53.046
flat angles P-C4'-P energy: -28.523
tors. eta vs tors. theta energy: -78.814
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: 8
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -844.505740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.505740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.505740 (E_RNA)
where:
Base-Base interactions energy: -585.043
where: short stacking energy: -239.003
Base-Backbone interact. energy: -0.722
local terms energy: -258.740494
where:
bonds (distance) C4'-P energy: -47.247
bonds (distance) P-C4' energy: -49.724
flat angles C4'-P-C4' energy: -57.182
flat angles P-C4'-P energy: -32.288
tors. eta vs tors. theta energy: -72.299
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: 5, replica: 10
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -815.826435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.826435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.826435 (E_RNA)
where:
Base-Base interactions energy: -552.599
where: short stacking energy: -237.681
Base-Backbone interact. energy: -1.031
local terms energy: -262.196623
where:
bonds (distance) C4'-P energy: -54.022
bonds (distance) P-C4' energy: -51.073
flat angles C4'-P-C4' energy: -55.467
flat angles P-C4'-P energy: -35.482
tors. eta vs tors. theta energy: -66.153
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: 3
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -791.824494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.824494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.824494 (E_RNA)
where:
Base-Base interactions energy: -547.858
where: short stacking energy: -236.982
Base-Backbone interact. energy: -0.540
local terms energy: -243.426403
where:
bonds (distance) C4'-P energy: -34.212
bonds (distance) P-C4' energy: -51.639
flat angles C4'-P-C4' energy: -55.900
flat angles P-C4'-P energy: -37.079
tors. eta vs tors. theta energy: -64.596
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: 5
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -741.636127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.636127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.636127 (E_RNA)
where:
Base-Base interactions energy: -498.012
where: short stacking energy: -202.722
Base-Backbone interact. energy: -1.260
local terms energy: -242.364460
where:
bonds (distance) C4'-P energy: -47.905
bonds (distance) P-C4' energy: -37.208
flat angles C4'-P-C4' energy: -56.568
flat angles P-C4'-P energy: -38.368
tors. eta vs tors. theta energy: -62.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -666.318572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.318572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.318572 (E_RNA)
where:
Base-Base interactions energy: -451.157
where: short stacking energy: -190.040
Base-Backbone interact. energy: -1.274
local terms energy: -213.887484
where:
bonds (distance) C4'-P energy: -39.112
bonds (distance) P-C4' energy: -42.000
flat angles C4'-P-C4' energy: -52.561
flat angles P-C4'-P energy: -36.394
tors. eta vs tors. theta energy: -43.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -435.261444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.261444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.261444 (E_RNA)
where:
Base-Base interactions energy: -248.673
where: short stacking energy: -123.266
Base-Backbone interact. energy: -0.765
local terms energy: -185.823193
where:
bonds (distance) C4'-P energy: -42.568
bonds (distance) P-C4' energy: -51.705
flat angles C4'-P-C4' energy: -41.649
flat angles P-C4'-P energy: -31.815
tors. eta vs tors. theta energy: -18.086
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: 10, replica: 6
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -286.758528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.758528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.758528 (E_RNA)
where:
Base-Base interactions energy: -136.923
where: short stacking energy: -89.742
Base-Backbone interact. energy: 6.031
local terms energy: -155.866880
where:
bonds (distance) C4'-P energy: -35.556
bonds (distance) P-C4' energy: -45.604
flat angles C4'-P-C4' energy: -34.896
flat angles P-C4'-P energy: -31.690
tors. eta vs tors. theta energy: -8.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -938.291495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.291495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.291495 (E_RNA)
where:
Base-Base interactions energy: -664.893
where: short stacking energy: -262.155
Base-Backbone interact. energy: -1.915
local terms energy: -271.483864
where:
bonds (distance) C4'-P energy: -53.242
bonds (distance) P-C4' energy: -49.438
flat angles C4'-P-C4' energy: -54.246
flat angles P-C4'-P energy: -38.754
tors. eta vs tors. theta energy: -75.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -917.914454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.914454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.914454 (E_RNA)
where:
Base-Base interactions energy: -640.242
where: short stacking energy: -281.015
Base-Backbone interact. energy: -1.107
local terms energy: -276.565092
where:
bonds (distance) C4'-P energy: -43.598
bonds (distance) P-C4' energy: -53.920
flat angles C4'-P-C4' energy: -65.827
flat angles P-C4'-P energy: -38.349
tors. eta vs tors. theta energy: -74.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -895.727520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.727520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.727520 (E_RNA)
where:
Base-Base interactions energy: -607.619
where: short stacking energy: -273.635
Base-Backbone interact. energy: -0.220
local terms energy: -287.888384
where:
bonds (distance) C4'-P energy: -54.338
bonds (distance) P-C4' energy: -53.347
flat angles C4'-P-C4' energy: -60.715
flat angles P-C4'-P energy: -37.724
tors. eta vs tors. theta energy: -81.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -844.777796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.777796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.777796 (E_RNA)
where:
Base-Base interactions energy: -583.783
where: short stacking energy: -245.222
Base-Backbone interact. energy: -1.004
local terms energy: -259.991197
where:
bonds (distance) C4'-P energy: -51.323
bonds (distance) P-C4' energy: -50.104
flat angles C4'-P-C4' energy: -51.095
flat angles P-C4'-P energy: -36.352
tors. eta vs tors. theta energy: -71.117
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: 10
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -809.671968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.671968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.671968 (E_RNA)
where:
Base-Base interactions energy: -547.241
where: short stacking energy: -231.299
Base-Backbone interact. energy: -0.287
local terms energy: -262.144422
where:
bonds (distance) C4'-P energy: -45.985
bonds (distance) P-C4' energy: -55.515
flat angles C4'-P-C4' energy: -53.073
flat angles P-C4'-P energy: -38.683
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: 6, replica: 3
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -785.686905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.686905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.686905 (E_RNA)
where:
Base-Base interactions energy: -536.189
where: short stacking energy: -225.967
Base-Backbone interact. energy: -0.943
local terms energy: -248.554744
where:
bonds (distance) C4'-P energy: -45.829
bonds (distance) P-C4' energy: -47.158
flat angles C4'-P-C4' energy: -51.204
flat angles P-C4'-P energy: -37.223
tors. eta vs tors. theta energy: -67.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -716.206942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.206942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.206942 (E_RNA)
where:
Base-Base interactions energy: -482.764
where: short stacking energy: -202.048
Base-Backbone interact. energy: -0.340
local terms energy: -233.102934
where:
bonds (distance) C4'-P energy: -41.942
bonds (distance) P-C4' energy: -43.343
flat angles C4'-P-C4' energy: -54.522
flat angles P-C4'-P energy: -36.187
tors. eta vs tors. theta energy: -57.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -682.585178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.585178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.585178 (E_RNA)
where:
Base-Base interactions energy: -471.131
where: short stacking energy: -195.287
Base-Backbone interact. energy: 0.736
local terms energy: -212.189405
where:
bonds (distance) C4'-P energy: -41.961
bonds (distance) P-C4' energy: -47.380
flat angles C4'-P-C4' energy: -50.359
flat angles P-C4'-P energy: -19.961
tors. eta vs tors. theta energy: -52.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -402.852704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.852704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.852704 (E_RNA)
where:
Base-Base interactions energy: -258.224
where: short stacking energy: -111.838
Base-Backbone interact. energy: -2.141
local terms energy: -142.488177
where:
bonds (distance) C4'-P energy: -37.649
bonds (distance) P-C4' energy: -42.985
flat angles C4'-P-C4' energy: -44.593
flat angles P-C4'-P energy: -10.648
tors. eta vs tors. theta energy: -6.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -296.720474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.720474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.720474 (E_RNA)
where:
Base-Base interactions energy: -145.496
where: short stacking energy: -85.829
Base-Backbone interact. energy: 4.545
local terms energy: -155.769550
where:
bonds (distance) C4'-P energy: -46.039
bonds (distance) P-C4' energy: -44.768
flat angles C4'-P-C4' energy: -42.749
flat angles P-C4'-P energy: -18.986
tors. eta vs tors. theta energy: -3.227
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: 1
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -946.455409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.455409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.455409 (E_RNA)
where:
Base-Base interactions energy: -665.170
where: short stacking energy: -286.969
Base-Backbone interact. energy: -0.467
local terms energy: -280.818923
where:
bonds (distance) C4'-P energy: -49.977
bonds (distance) P-C4' energy: -47.771
flat angles C4'-P-C4' energy: -58.056
flat angles P-C4'-P energy: -41.325
tors. eta vs tors. theta energy: -83.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -925.072495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.072495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.072495 (E_RNA)
where:
Base-Base interactions energy: -634.912
where: short stacking energy: -268.282
Base-Backbone interact. energy: -1.330
local terms energy: -288.830520
where:
bonds (distance) C4'-P energy: -43.647
bonds (distance) P-C4' energy: -58.779
flat angles C4'-P-C4' energy: -63.673
flat angles P-C4'-P energy: -43.321
tors. eta vs tors. theta energy: -79.411
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: 4
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -871.606656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.606656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.606656 (E_RNA)
where:
Base-Base interactions energy: -601.464
where: short stacking energy: -254.535
Base-Backbone interact. energy: -0.303
local terms energy: -269.839720
where:
bonds (distance) C4'-P energy: -55.476
bonds (distance) P-C4' energy: -58.380
flat angles C4'-P-C4' energy: -45.963
flat angles P-C4'-P energy: -36.072
tors. eta vs tors. theta energy: -73.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -837.664189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.664189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.664189 (E_RNA)
where:
Base-Base interactions energy: -585.041
where: short stacking energy: -241.253
Base-Backbone interact. energy: -0.744
local terms energy: -251.879384
where:
bonds (distance) C4'-P energy: -48.903
bonds (distance) P-C4' energy: -42.024
flat angles C4'-P-C4' energy: -54.338
flat angles P-C4'-P energy: -34.899
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: 5, replica: 10
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -807.070080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.070080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.070080 (E_RNA)
where:
Base-Base interactions energy: -554.382
where: short stacking energy: -234.803
Base-Backbone interact. energy: 0.151
local terms energy: -252.838467
where:
bonds (distance) C4'-P energy: -41.971
bonds (distance) P-C4' energy: -45.002
flat angles C4'-P-C4' energy: -58.976
flat angles P-C4'-P energy: -38.149
tors. eta vs tors. theta energy: -68.741
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: 3
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -760.137941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.137941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.137941 (E_RNA)
where:
Base-Base interactions energy: -527.604
where: short stacking energy: -210.016
Base-Backbone interact. energy: -2.549
local terms energy: -229.984745
where:
bonds (distance) C4'-P energy: -46.687
bonds (distance) P-C4' energy: -50.611
flat angles C4'-P-C4' energy: -45.480
flat angles P-C4'-P energy: -36.343
tors. eta vs tors. theta energy: -50.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -725.424053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.424053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.424053 (E_RNA)
where:
Base-Base interactions energy: -490.596
where: short stacking energy: -189.730
Base-Backbone interact. energy: 1.480
local terms energy: -236.308017
where:
bonds (distance) C4'-P energy: -42.836
bonds (distance) P-C4' energy: -56.083
flat angles C4'-P-C4' energy: -55.186
flat angles P-C4'-P energy: -37.332
tors. eta vs tors. theta energy: -44.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -690.467128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.467128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.467128 (E_RNA)
where:
Base-Base interactions energy: -467.107
where: short stacking energy: -190.246
Base-Backbone interact. energy: -0.546
local terms energy: -222.813783
where:
bonds (distance) C4'-P energy: -41.570
bonds (distance) P-C4' energy: -50.600
flat angles C4'-P-C4' energy: -46.710
flat angles P-C4'-P energy: -32.949
tors. eta vs tors. theta energy: -50.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -440.267115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.267115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.267115 (E_RNA)
where:
Base-Base interactions energy: -268.237
where: short stacking energy: -125.647
Base-Backbone interact. energy: 1.262
local terms energy: -173.291861
where:
bonds (distance) C4'-P energy: -48.299
bonds (distance) P-C4' energy: -47.232
flat angles C4'-P-C4' energy: -35.033
flat angles P-C4'-P energy: -24.611
tors. eta vs tors. theta energy: -18.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -269.623130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.623130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.623130 (E_RNA)
where:
Base-Base interactions energy: -114.281
where: short stacking energy: -69.559
Base-Backbone interact. energy: -1.657
local terms energy: -153.684828
where:
bonds (distance) C4'-P energy: -44.424
bonds (distance) P-C4' energy: -41.586
flat angles C4'-P-C4' energy: -37.011
flat angles P-C4'-P energy: -32.839
tors. eta vs tors. theta energy: 2.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -945.333452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.333452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.333452 (E_RNA)
where:
Base-Base interactions energy: -651.651
where: short stacking energy: -289.739
Base-Backbone interact. energy: -1.210
local terms energy: -292.472308
where:
bonds (distance) C4'-P energy: -51.274
bonds (distance) P-C4' energy: -50.717
flat angles C4'-P-C4' energy: -65.520
flat angles P-C4'-P energy: -40.056
tors. eta vs tors. theta energy: -84.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -942.107721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.107721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.107721 (E_RNA)
where:
Base-Base interactions energy: -656.459
where: short stacking energy: -263.381
Base-Backbone interact. energy: -1.338
local terms energy: -284.311588
where:
bonds (distance) C4'-P energy: -60.591
bonds (distance) P-C4' energy: -54.692
flat angles C4'-P-C4' energy: -54.840
flat angles P-C4'-P energy: -37.138
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: 3, replica: 4
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -881.873472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.873472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.873472 (E_RNA)
where:
Base-Base interactions energy: -613.277
where: short stacking energy: -261.301
Base-Backbone interact. energy: 2.021
local terms energy: -270.618258
where:
bonds (distance) C4'-P energy: -58.878
bonds (distance) P-C4' energy: -38.801
flat angles C4'-P-C4' energy: -53.575
flat angles P-C4'-P energy: -44.709
tors. eta vs tors. theta energy: -74.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -842.292785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.292785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.292785 (E_RNA)
where:
Base-Base interactions energy: -598.476
where: short stacking energy: -272.045
Base-Backbone interact. energy: -1.498
local terms energy: -242.318704
where:
bonds (distance) C4'-P energy: -40.370
bonds (distance) P-C4' energy: -44.131
flat angles C4'-P-C4' energy: -42.581
flat angles P-C4'-P energy: -40.899
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: 5, replica: 10
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -822.152492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.152492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.152492 (E_RNA)
where:
Base-Base interactions energy: -564.017
where: short stacking energy: -227.840
Base-Backbone interact. energy: 0.551
local terms energy: -258.686505
where:
bonds (distance) C4'-P energy: -55.589
bonds (distance) P-C4' energy: -48.577
flat angles C4'-P-C4' energy: -50.944
flat angles P-C4'-P energy: -33.649
tors. eta vs tors. theta energy: -69.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -756.417939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.417939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.417939 (E_RNA)
where:
Base-Base interactions energy: -514.230
where: short stacking energy: -220.452
Base-Backbone interact. energy: 0.054
local terms energy: -242.242181
where:
bonds (distance) C4'-P energy: -45.334
bonds (distance) P-C4' energy: -54.447
flat angles C4'-P-C4' energy: -49.453
flat angles P-C4'-P energy: -31.277
tors. eta vs tors. theta energy: -61.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -730.611087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.611087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.611087 (E_RNA)
where:
Base-Base interactions energy: -513.261
where: short stacking energy: -220.855
Base-Backbone interact. energy: -1.046
local terms energy: -216.304023
where:
bonds (distance) C4'-P energy: -43.356
bonds (distance) P-C4' energy: -34.177
flat angles C4'-P-C4' energy: -45.991
flat angles P-C4'-P energy: -35.002
tors. eta vs tors. theta energy: -57.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -702.711333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.711333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.711333 (E_RNA)
where:
Base-Base interactions energy: -479.884
where: short stacking energy: -197.032
Base-Backbone interact. energy: -0.902
local terms energy: -221.925271
where:
bonds (distance) C4'-P energy: -44.929
bonds (distance) P-C4' energy: -39.107
flat angles C4'-P-C4' energy: -48.007
flat angles P-C4'-P energy: -31.922
tors. eta vs tors. theta energy: -57.961
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: 263
Temperature: 1.300000
Total energy: -432.448096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.448096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.448096 (E_RNA)
where:
Base-Base interactions energy: -286.396
where: short stacking energy: -116.416
Base-Backbone interact. energy: 0.428
local terms energy: -146.480229
where:
bonds (distance) C4'-P energy: -41.689
bonds (distance) P-C4' energy: -30.998
flat angles C4'-P-C4' energy: -42.691
flat angles P-C4'-P energy: -18.486
tors. eta vs tors. theta energy: -12.617
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: 6
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -309.378539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.378539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.378539 (E_RNA)
where:
Base-Base interactions energy: -152.852
where: short stacking energy: -77.478
Base-Backbone interact. energy: 2.519
local terms energy: -159.044756
where:
bonds (distance) C4'-P energy: -53.183
bonds (distance) P-C4' energy: -47.236
flat angles C4'-P-C4' energy: -31.836
flat angles P-C4'-P energy: -32.693
tors. eta vs tors. theta energy: 5.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -942.708636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.708636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.708636 (E_RNA)
where:
Base-Base interactions energy: -652.313
where: short stacking energy: -272.780
Base-Backbone interact. energy: -1.344
local terms energy: -289.051225
where:
bonds (distance) C4'-P energy: -54.401
bonds (distance) P-C4' energy: -53.780
flat angles C4'-P-C4' energy: -54.187
flat angles P-C4'-P energy: -47.555
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: 2, replica: 2
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -939.764747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.764747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.764747 (E_RNA)
where:
Base-Base interactions energy: -671.205
where: short stacking energy: -267.496
Base-Backbone interact. energy: 1.365
local terms energy: -269.925538
where:
bonds (distance) C4'-P energy: -42.295
bonds (distance) P-C4' energy: -56.176
flat angles C4'-P-C4' energy: -58.346
flat angles P-C4'-P energy: -38.877
tors. eta vs tors. theta energy: -74.231
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: 4
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -866.892106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.892106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.892106 (E_RNA)
where:
Base-Base interactions energy: -607.720
where: short stacking energy: -246.245
Base-Backbone interact. energy: -0.689
local terms energy: -258.482545
where:
bonds (distance) C4'-P energy: -49.427
bonds (distance) P-C4' energy: -49.692
flat angles C4'-P-C4' energy: -61.655
flat angles P-C4'-P energy: -26.041
tors. eta vs tors. theta energy: -71.668
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: 4, replica: 8
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -861.333978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.333978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.333978 (E_RNA)
where:
Base-Base interactions energy: -596.646
where: short stacking energy: -248.379
Base-Backbone interact. energy: 0.056
local terms energy: -264.744746
where:
bonds (distance) C4'-P energy: -49.329
bonds (distance) P-C4' energy: -48.148
flat angles C4'-P-C4' energy: -54.971
flat angles P-C4'-P energy: -37.259
tors. eta vs tors. theta energy: -75.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -830.521198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.521198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.521198 (E_RNA)
where:
Base-Base interactions energy: -572.041
where: short stacking energy: -229.795
Base-Backbone interact. energy: -1.061
local terms energy: -257.419844
where:
bonds (distance) C4'-P energy: -44.631
bonds (distance) P-C4' energy: -45.235
flat angles C4'-P-C4' energy: -57.631
flat angles P-C4'-P energy: -42.298
tors. eta vs tors. theta energy: -67.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -746.632752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.632752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.632752 (E_RNA)
where:
Base-Base interactions energy: -514.276
where: short stacking energy: -211.440
Base-Backbone interact. energy: -0.457
local terms energy: -231.899123
where:
bonds (distance) C4'-P energy: -34.334
bonds (distance) P-C4' energy: -48.900
flat angles C4'-P-C4' energy: -59.465
flat angles P-C4'-P energy: -37.445
tors. eta vs tors. theta energy: -51.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -720.451572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.451572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.451572 (E_RNA)
where:
Base-Base interactions energy: -482.144
where: short stacking energy: -198.114
Base-Backbone interact. energy: -0.360
local terms energy: -237.947424
where:
bonds (distance) C4'-P energy: -33.000
bonds (distance) P-C4' energy: -59.483
flat angles C4'-P-C4' energy: -49.900
flat angles P-C4'-P energy: -36.972
tors. eta vs tors. theta energy: -58.593
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: 8, replica: 3
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -715.010470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.010470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.010470 (E_RNA)
where:
Base-Base interactions energy: -506.654
where: short stacking energy: -235.863
Base-Backbone interact. energy: -0.801
local terms energy: -207.555509
where:
bonds (distance) C4'-P energy: -32.321
bonds (distance) P-C4' energy: -37.160
flat angles C4'-P-C4' energy: -52.683
flat angles P-C4'-P energy: -21.700
tors. eta vs tors. theta energy: -63.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -426.068256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.068256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.068256 (E_RNA)
where:
Base-Base interactions energy: -252.486
where: short stacking energy: -104.001
Base-Backbone interact. energy: -2.260
local terms energy: -171.322409
where:
bonds (distance) C4'-P energy: -37.359
bonds (distance) P-C4' energy: -42.676
flat angles C4'-P-C4' energy: -39.711
flat angles P-C4'-P energy: -31.394
tors. eta vs tors. theta energy: -20.182
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: 6
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -296.707183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.707183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.707183 (E_RNA)
where:
Base-Base interactions energy: -129.115
where: short stacking energy: -82.801
Base-Backbone interact. energy: -2.070
local terms energy: -165.522091
where:
bonds (distance) C4'-P energy: -44.548
bonds (distance) P-C4' energy: -46.331
flat angles C4'-P-C4' energy: -43.990
flat angles P-C4'-P energy: -28.711
tors. eta vs tors. theta energy: -1.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -976.232712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.232712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.232712 (E_RNA)
where:
Base-Base interactions energy: -667.179
where: short stacking energy: -290.103
Base-Backbone interact. energy: -1.088
local terms energy: -307.965957
where:
bonds (distance) C4'-P energy: -54.987
bonds (distance) P-C4' energy: -56.982
flat angles C4'-P-C4' energy: -65.648
flat angles P-C4'-P energy: -38.103
tors. eta vs tors. theta energy: -92.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -951.942583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.942583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.942583 (E_RNA)
where:
Base-Base interactions energy: -662.325
where: short stacking energy: -288.297
Base-Backbone interact. energy: -1.739
local terms energy: -287.878678
where:
bonds (distance) C4'-P energy: -52.499
bonds (distance) P-C4' energy: -52.659
flat angles C4'-P-C4' energy: -62.987
flat angles P-C4'-P energy: -35.491
tors. eta vs tors. theta energy: -84.243
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: 3, replica: 4
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -869.600042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.600042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.600042 (E_RNA)
where:
Base-Base interactions energy: -607.811
where: short stacking energy: -258.686
Base-Backbone interact. energy: -0.560
local terms energy: -261.228724
where:
bonds (distance) C4'-P energy: -41.976
bonds (distance) P-C4' energy: -55.283
flat angles C4'-P-C4' energy: -55.901
flat angles P-C4'-P energy: -35.574
tors. eta vs tors. theta energy: -72.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -839.920398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.920398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.920398 (E_RNA)
where:
Base-Base interactions energy: -573.563
where: short stacking energy: -239.509
Base-Backbone interact. energy: 1.137
local terms energy: -267.494408
where:
bonds (distance) C4'-P energy: -46.511
bonds (distance) P-C4' energy: -51.953
flat angles C4'-P-C4' energy: -57.394
flat angles P-C4'-P energy: -43.985
tors. eta vs tors. theta energy: -67.651
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: 8
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -828.823571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.823571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.823571 (E_RNA)
where:
Base-Base interactions energy: -577.980
where: short stacking energy: -247.020
Base-Backbone interact. energy: -1.325
local terms energy: -249.518381
where:
bonds (distance) C4'-P energy: -45.523
bonds (distance) P-C4' energy: -50.129
flat angles C4'-P-C4' energy: -53.004
flat angles P-C4'-P energy: -25.724
tors. eta vs tors. theta energy: -75.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -759.570021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.570021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.570021 (E_RNA)
where:
Base-Base interactions energy: -507.708
where: short stacking energy: -206.104
Base-Backbone interact. energy: -0.285
local terms energy: -251.577157
where:
bonds (distance) C4'-P energy: -35.028
bonds (distance) P-C4' energy: -57.879
flat angles C4'-P-C4' energy: -61.168
flat angles P-C4'-P energy: -37.985
tors. eta vs tors. theta energy: -59.517
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: 7, replica: 7
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -710.459883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.459883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.459883 (E_RNA)
where:
Base-Base interactions energy: -482.948
where: short stacking energy: -194.928
Base-Backbone interact. energy: 9.454
local terms energy: -236.966427
where:
bonds (distance) C4'-P energy: -44.253
bonds (distance) P-C4' energy: -55.003
flat angles C4'-P-C4' energy: -52.631
flat angles P-C4'-P energy: -37.403
tors. eta vs tors. theta energy: -47.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -712.521624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.521624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.521624 (E_RNA)
where:
Base-Base interactions energy: -489.976
where: short stacking energy: -211.946
Base-Backbone interact. energy: -0.056
local terms energy: -222.489100
where:
bonds (distance) C4'-P energy: -43.107
bonds (distance) P-C4' energy: -50.917
flat angles C4'-P-C4' energy: -42.448
flat angles P-C4'-P energy: -26.142
tors. eta vs tors. theta energy: -59.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -459.089665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.089665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.089665 (E_RNA)
where:
Base-Base interactions energy: -305.903
where: short stacking energy: -130.895
Base-Backbone interact. energy: 0.395
local terms energy: -153.581494
where:
bonds (distance) C4'-P energy: -46.424
bonds (distance) P-C4' energy: -34.302
flat angles C4'-P-C4' energy: -38.847
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -23.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -290.489053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.489053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.489053 (E_RNA)
where:
Base-Base interactions energy: -149.368
where: short stacking energy: -84.283
Base-Backbone interact. energy: 2.726
local terms energy: -143.847070
where:
bonds (distance) C4'-P energy: -38.799
bonds (distance) P-C4' energy: -35.032
flat angles C4'-P-C4' energy: -45.470
flat angles P-C4'-P energy: -20.493
tors. eta vs tors. theta energy: -4.054
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: 1
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -947.970944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.970944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.970944 (E_RNA)
where:
Base-Base interactions energy: -660.395
where: short stacking energy: -298.523
Base-Backbone interact. energy: -1.332
local terms energy: -286.243817
where:
bonds (distance) C4'-P energy: -42.771
bonds (distance) P-C4' energy: -52.233
flat angles C4'-P-C4' energy: -59.770
flat angles P-C4'-P energy: -39.665
tors. eta vs tors. theta energy: -91.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -937.208678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.208678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.208678 (E_RNA)
where:
Base-Base interactions energy: -648.563
where: short stacking energy: -284.375
Base-Backbone interact. energy: 0.674
local terms energy: -289.319087
where:
bonds (distance) C4'-P energy: -51.624
bonds (distance) P-C4' energy: -56.151
flat angles C4'-P-C4' energy: -55.414
flat angles P-C4'-P energy: -38.925
tors. eta vs tors. theta energy: -87.206
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: 10
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -866.259524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.259524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.259524 (E_RNA)
where:
Base-Base interactions energy: -597.219
where: short stacking energy: -239.472
Base-Backbone interact. energy: 2.365
local terms energy: -271.405156
where:
bonds (distance) C4'-P energy: -46.508
bonds (distance) P-C4' energy: -52.139
flat angles C4'-P-C4' energy: -59.373
flat angles P-C4'-P energy: -40.625
tors. eta vs tors. theta energy: -72.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -837.994191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.994191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.994191 (E_RNA)
where:
Base-Base interactions energy: -566.876
where: short stacking energy: -242.677
Base-Backbone interact. energy: 0.501
local terms energy: -271.619035
where:
bonds (distance) C4'-P energy: -41.865
bonds (distance) P-C4' energy: -48.167
flat angles C4'-P-C4' energy: -57.691
flat angles P-C4'-P energy: -44.484
tors. eta vs tors. theta energy: -79.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -819.696547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.696547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.696547 (E_RNA)
where:
Base-Base interactions energy: -573.795
where: short stacking energy: -230.898
Base-Backbone interact. energy: -1.585
local terms energy: -244.316181
where:
bonds (distance) C4'-P energy: -38.522
bonds (distance) P-C4' energy: -49.622
flat angles C4'-P-C4' energy: -50.176
flat angles P-C4'-P energy: -33.986
tors. eta vs tors. theta energy: -72.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -764.126246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.126246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.126246 (E_RNA)
where:
Base-Base interactions energy: -526.971
where: short stacking energy: -221.615
Base-Backbone interact. energy: -0.402
local terms energy: -236.753764
where:
bonds (distance) C4'-P energy: -36.812
bonds (distance) P-C4' energy: -53.201
flat angles C4'-P-C4' energy: -57.787
flat angles P-C4'-P energy: -27.399
tors. eta vs tors. theta energy: -61.555
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: 3
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -719.721728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.721728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.721728 (E_RNA)
where:
Base-Base interactions energy: -482.803
where: short stacking energy: -207.007
Base-Backbone interact. energy: -0.911
local terms energy: -236.007689
where:
bonds (distance) C4'-P energy: -42.684
bonds (distance) P-C4' energy: -43.396
flat angles C4'-P-C4' energy: -51.692
flat angles P-C4'-P energy: -40.062
tors. eta vs tors. theta energy: -58.173
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: 7
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -698.660116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.660116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.660116 (E_RNA)
where:
Base-Base interactions energy: -490.074
where: short stacking energy: -200.807
Base-Backbone interact. energy: -1.009
local terms energy: -207.576627
where:
bonds (distance) C4'-P energy: -31.376
bonds (distance) P-C4' energy: -46.119
flat angles C4'-P-C4' energy: -48.123
flat angles P-C4'-P energy: -32.721
tors. eta vs tors. theta energy: -49.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -474.496910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.496910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.496910 (E_RNA)
where:
Base-Base interactions energy: -287.247
where: short stacking energy: -128.652
Base-Backbone interact. energy: -1.290
local terms energy: -185.959930
where:
bonds (distance) C4'-P energy: -41.443
bonds (distance) P-C4' energy: -51.560
flat angles C4'-P-C4' energy: -41.477
flat angles P-C4'-P energy: -28.567
tors. eta vs tors. theta energy: -22.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -246.187308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.187308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.187308 (E_RNA)
where:
Base-Base interactions energy: -78.149
where: short stacking energy: -62.029
Base-Backbone interact. energy: 1.397
local terms energy: -169.435347
where:
bonds (distance) C4'-P energy: -51.377
bonds (distance) P-C4' energy: -50.954
flat angles C4'-P-C4' energy: -52.689
flat angles P-C4'-P energy: -22.485
tors. eta vs tors. theta energy: 8.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -980.488375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.488375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.488375 (E_RNA)
where:
Base-Base interactions energy: -677.361
where: short stacking energy: -299.946
Base-Backbone interact. energy: -1.411
local terms energy: -301.716000
where:
bonds (distance) C4'-P energy: -55.226
bonds (distance) P-C4' energy: -50.573
flat angles C4'-P-C4' energy: -57.805
flat angles P-C4'-P energy: -47.112
tors. eta vs tors. theta energy: -91.000
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: 2
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -933.006980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.006980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.006980 (E_RNA)
where:
Base-Base interactions energy: -648.311
where: short stacking energy: -270.967
Base-Backbone interact. energy: -1.159
local terms energy: -283.536347
where:
bonds (distance) C4'-P energy: -53.298
bonds (distance) P-C4' energy: -45.903
flat angles C4'-P-C4' energy: -60.351
flat angles P-C4'-P energy: -39.611
tors. eta vs tors. theta energy: -84.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -869.511799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.511799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.511799 (E_RNA)
where:
Base-Base interactions energy: -602.735
where: short stacking energy: -247.786
Base-Backbone interact. energy: -1.318
local terms energy: -265.459439
where:
bonds (distance) C4'-P energy: -48.414
bonds (distance) P-C4' energy: -57.132
flat angles C4'-P-C4' energy: -57.317
flat angles P-C4'-P energy: -36.342
tors. eta vs tors. theta energy: -66.254
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: 4
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -850.575142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.575142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.575142 (E_RNA)
where:
Base-Base interactions energy: -597.217
where: short stacking energy: -255.370
Base-Backbone interact. energy: -1.442
local terms energy: -251.916565
where:
bonds (distance) C4'-P energy: -45.475
bonds (distance) P-C4' energy: -44.545
flat angles C4'-P-C4' energy: -49.561
flat angles P-C4'-P energy: -38.952
tors. eta vs tors. theta energy: -73.383
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: 8
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -827.274746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.274746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.274746 (E_RNA)
where:
Base-Base interactions energy: -567.834
where: short stacking energy: -237.400
Base-Backbone interact. energy: -0.860
local terms energy: -258.580414
where:
bonds (distance) C4'-P energy: -47.267
bonds (distance) P-C4' energy: -48.495
flat angles C4'-P-C4' energy: -55.397
flat angles P-C4'-P energy: -31.632
tors. eta vs tors. theta energy: -75.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -781.305976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.305976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.305976 (E_RNA)
where:
Base-Base interactions energy: -524.846
where: short stacking energy: -228.517
Base-Backbone interact. energy: 0.725
local terms energy: -257.185002
where:
bonds (distance) C4'-P energy: -48.220
bonds (distance) P-C4' energy: -56.497
flat angles C4'-P-C4' energy: -51.420
flat angles P-C4'-P energy: -33.250
tors. eta vs tors. theta energy: -67.798
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: 7, replica: 5
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -752.382759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.382759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.382759 (E_RNA)
where:
Base-Base interactions energy: -548.308
where: short stacking energy: -219.393
Base-Backbone interact. energy: -1.264
local terms energy: -202.810247
where:
bonds (distance) C4'-P energy: -32.683
bonds (distance) P-C4' energy: -36.050
flat angles C4'-P-C4' energy: -41.607
flat angles P-C4'-P energy: -28.739
tors. eta vs tors. theta energy: -63.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -706.606542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.606542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.606542 (E_RNA)
where:
Base-Base interactions energy: -487.164
where: short stacking energy: -184.279
Base-Backbone interact. energy: 5.341
local terms energy: -224.784074
where:
bonds (distance) C4'-P energy: -46.396
bonds (distance) P-C4' energy: -48.783
flat angles C4'-P-C4' energy: -49.542
flat angles P-C4'-P energy: -31.541
tors. eta vs tors. theta energy: -48.523
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: 9, replica: 9
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -444.279001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.279001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.279001 (E_RNA)
where:
Base-Base interactions energy: -270.671
where: short stacking energy: -121.320
Base-Backbone interact. energy: -1.163
local terms energy: -172.445280
where:
bonds (distance) C4'-P energy: -40.341
bonds (distance) P-C4' energy: -49.541
flat angles C4'-P-C4' energy: -41.298
flat angles P-C4'-P energy: -27.673
tors. eta vs tors. theta energy: -13.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -230.531656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.531656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.531656 (E_RNA)
where:
Base-Base interactions energy: -79.436
where: short stacking energy: -74.741
Base-Backbone interact. energy: 2.669
local terms energy: -153.764281
where:
bonds (distance) C4'-P energy: -44.931
bonds (distance) P-C4' energy: -38.753
flat angles C4'-P-C4' energy: -46.561
flat angles P-C4'-P energy: -23.814
tors. eta vs tors. theta energy: 0.296
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: 1
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -973.126687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.126687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.126687 (E_RNA)
where:
Base-Base interactions energy: -670.960
where: short stacking energy: -305.138
Base-Backbone interact. energy: -1.630
local terms energy: -300.536426
where:
bonds (distance) C4'-P energy: -51.543
bonds (distance) P-C4' energy: -51.559
flat angles C4'-P-C4' energy: -60.291
flat angles P-C4'-P energy: -45.388
tors. eta vs tors. theta energy: -91.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -934.479067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.479067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.479067 (E_RNA)
where:
Base-Base interactions energy: -652.087
where: short stacking energy: -274.259
Base-Backbone interact. energy: -1.559
local terms energy: -280.832635
where:
bonds (distance) C4'-P energy: -53.873
bonds (distance) P-C4' energy: -47.488
flat angles C4'-P-C4' energy: -60.291
flat angles P-C4'-P energy: -35.612
tors. eta vs tors. theta energy: -83.569
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: 3, replica: 4
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -865.289717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.289717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.289717 (E_RNA)
where:
Base-Base interactions energy: -594.423
where: short stacking energy: -249.581
Base-Backbone interact. energy: -0.459
local terms energy: -270.407320
where:
bonds (distance) C4'-P energy: -56.427
bonds (distance) P-C4' energy: -51.766
flat angles C4'-P-C4' energy: -54.448
flat angles P-C4'-P energy: -30.853
tors. eta vs tors. theta energy: -76.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -856.458443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.458443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.458443 (E_RNA)
where:
Base-Base interactions energy: -603.253
where: short stacking energy: -250.226
Base-Backbone interact. energy: -0.966
local terms energy: -252.239900
where:
bonds (distance) C4'-P energy: -40.362
bonds (distance) P-C4' energy: -51.145
flat angles C4'-P-C4' energy: -52.843
flat angles P-C4'-P energy: -38.852
tors. eta vs tors. theta energy: -69.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -820.351822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.351822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.351822 (E_RNA)
where:
Base-Base interactions energy: -574.567
where: short stacking energy: -233.700
Base-Backbone interact. energy: -1.333
local terms energy: -244.451747
where:
bonds (distance) C4'-P energy: -43.369
bonds (distance) P-C4' energy: -51.714
flat angles C4'-P-C4' energy: -54.807
flat angles P-C4'-P energy: -28.828
tors. eta vs tors. theta energy: -65.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -748.743807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.743807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.743807 (E_RNA)
where:
Base-Base interactions energy: -522.995
where: short stacking energy: -235.646
Base-Backbone interact. energy: -0.474
local terms energy: -225.274023
where:
bonds (distance) C4'-P energy: -47.695
bonds (distance) P-C4' energy: -42.411
flat angles C4'-P-C4' energy: -54.219
flat angles P-C4'-P energy: -17.300
tors. eta vs tors. theta energy: -63.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -758.826438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.826438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.826438 (E_RNA)
where:
Base-Base interactions energy: -522.629
where: short stacking energy: -216.015
Base-Backbone interact. energy: -2.141
local terms energy: -234.056816
where:
bonds (distance) C4'-P energy: -41.154
bonds (distance) P-C4' energy: -53.522
flat angles C4'-P-C4' energy: -53.548
flat angles P-C4'-P energy: -35.753
tors. eta vs tors. theta energy: -50.081
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: 7
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -684.677455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.677455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.677455 (E_RNA)
where:
Base-Base interactions energy: -466.121
where: short stacking energy: -194.557
Base-Backbone interact. energy: 2.419
local terms energy: -220.975926
where:
bonds (distance) C4'-P energy: -46.255
bonds (distance) P-C4' energy: -49.969
flat angles C4'-P-C4' energy: -49.532
flat angles P-C4'-P energy: -28.176
tors. eta vs tors. theta energy: -47.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -460.781359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.781359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.781359 (E_RNA)
where:
Base-Base interactions energy: -273.560
where: short stacking energy: -141.040
Base-Backbone interact. energy: 0.382
local terms energy: -187.603101
where:
bonds (distance) C4'-P energy: -42.953
bonds (distance) P-C4' energy: -45.055
flat angles C4'-P-C4' energy: -47.627
flat angles P-C4'-P energy: -22.697
tors. eta vs tors. theta energy: -29.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -214.871980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.871980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.871980 (E_RNA)
where:
Base-Base interactions energy: -78.927
where: short stacking energy: -60.120
Base-Backbone interact. energy: -0.623
local terms energy: -135.322188
where:
bonds (distance) C4'-P energy: -56.736
bonds (distance) P-C4' energy: -26.811
flat angles C4'-P-C4' energy: -41.099
flat angles P-C4'-P energy: -18.070
tors. eta vs tors. theta energy: 7.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -970.902261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.902261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.902261 (E_RNA)
where:
Base-Base interactions energy: -648.849
where: short stacking energy: -293.013
Base-Backbone interact. energy: 1.189
local terms energy: -323.241975
where:
bonds (distance) C4'-P energy: -58.116
bonds (distance) P-C4' energy: -61.283
flat angles C4'-P-C4' energy: -65.134
flat angles P-C4'-P energy: -46.180
tors. eta vs tors. theta energy: -92.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -942.986602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.986602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.986602 (E_RNA)
where:
Base-Base interactions energy: -659.523
where: short stacking energy: -272.112
Base-Backbone interact. energy: -1.396
local terms energy: -282.067346
where:
bonds (distance) C4'-P energy: -49.573
bonds (distance) P-C4' energy: -54.003
flat angles C4'-P-C4' energy: -59.072
flat angles P-C4'-P energy: -41.178
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: 4
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -855.321392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.321392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.321392 (E_RNA)
where:
Base-Base interactions energy: -607.978
where: short stacking energy: -245.638
Base-Backbone interact. energy: 1.368
local terms energy: -248.711471
where:
bonds (distance) C4'-P energy: -48.472
bonds (distance) P-C4' energy: -41.904
flat angles C4'-P-C4' energy: -54.953
flat angles P-C4'-P energy: -36.381
tors. eta vs tors. theta energy: -67.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -864.084099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.084099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.084099 (E_RNA)
where:
Base-Base interactions energy: -606.680
where: short stacking energy: -249.572
Base-Backbone interact. energy: -1.466
local terms energy: -255.937223
where:
bonds (distance) C4'-P energy: -41.376
bonds (distance) P-C4' energy: -54.676
flat angles C4'-P-C4' energy: -58.781
flat angles P-C4'-P energy: -36.000
tors. eta vs tors. theta energy: -65.104
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: 8
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -816.314584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.314584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.314584 (E_RNA)
where:
Base-Base interactions energy: -566.619
where: short stacking energy: -215.370
Base-Backbone interact. energy: -0.734
local terms energy: -248.961461
where:
bonds (distance) C4'-P energy: -44.582
bonds (distance) P-C4' energy: -40.578
flat angles C4'-P-C4' energy: -53.257
flat angles P-C4'-P energy: -43.819
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: 6, replica: 3
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -784.169638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.169638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.169638 (E_RNA)
where:
Base-Base interactions energy: -548.464
where: short stacking energy: -235.777
Base-Backbone interact. energy: 1.737
local terms energy: -237.442515
where:
bonds (distance) C4'-P energy: -42.304
bonds (distance) P-C4' energy: -47.880
flat angles C4'-P-C4' energy: -43.390
flat angles P-C4'-P energy: -37.353
tors. eta vs tors. theta energy: -66.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -730.978459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.978459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.978459 (E_RNA)
where:
Base-Base interactions energy: -494.466
where: short stacking energy: -199.957
Base-Backbone interact. energy: -0.303
local terms energy: -236.209753
where:
bonds (distance) C4'-P energy: -40.768
bonds (distance) P-C4' energy: -54.573
flat angles C4'-P-C4' energy: -48.569
flat angles P-C4'-P energy: -37.381
tors. eta vs tors. theta energy: -54.919
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: 7
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -652.105754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.105754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.105754 (E_RNA)
where:
Base-Base interactions energy: -461.644
where: short stacking energy: -182.690
Base-Backbone interact. energy: -0.047
local terms energy: -190.414796
where:
bonds (distance) C4'-P energy: -37.159
bonds (distance) P-C4' energy: -38.220
flat angles C4'-P-C4' energy: -43.481
flat angles P-C4'-P energy: -29.335
tors. eta vs tors. theta energy: -42.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -439.620887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.620887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.620887 (E_RNA)
where:
Base-Base interactions energy: -256.026
where: short stacking energy: -125.946
Base-Backbone interact. energy: -0.091
local terms energy: -183.503778
where:
bonds (distance) C4'-P energy: -40.886
bonds (distance) P-C4' energy: -48.606
flat angles C4'-P-C4' energy: -43.447
flat angles P-C4'-P energy: -23.151
tors. eta vs tors. theta energy: -27.414
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: 6
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -214.121393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.121393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.121393 (E_RNA)
where:
Base-Base interactions energy: -82.582
where: short stacking energy: -45.872
Base-Backbone interact. energy: -1.945
local terms energy: -129.594506
where:
bonds (distance) C4'-P energy: -45.908
bonds (distance) P-C4' energy: -29.786
flat angles C4'-P-C4' energy: -41.446
flat angles P-C4'-P energy: -21.418
tors. eta vs tors. theta energy: 8.964
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: 1
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -954.974164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.974164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.974164 (E_RNA)
where:
Base-Base interactions energy: -648.922
where: short stacking energy: -281.396
Base-Backbone interact. energy: -0.478
local terms energy: -305.574241
where:
bonds (distance) C4'-P energy: -57.981
bonds (distance) P-C4' energy: -52.219
flat angles C4'-P-C4' energy: -56.897
flat angles P-C4'-P energy: -48.416
tors. eta vs tors. theta energy: -90.061
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: 2
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -945.846902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.846902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.846902 (E_RNA)
where:
Base-Base interactions energy: -653.858
where: short stacking energy: -284.205
Base-Backbone interact. energy: 1.548
local terms energy: -293.536983
where:
bonds (distance) C4'-P energy: -57.526
bonds (distance) P-C4' energy: -49.356
flat angles C4'-P-C4' energy: -58.518
flat angles P-C4'-P energy: -44.483
tors. eta vs tors. theta energy: -83.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -851.164036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.164036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.164036 (E_RNA)
where:
Base-Base interactions energy: -592.242
where: short stacking energy: -228.467
Base-Backbone interact. energy: -0.442
local terms energy: -258.480359
where:
bonds (distance) C4'-P energy: -49.828
bonds (distance) P-C4' energy: -46.130
flat angles C4'-P-C4' energy: -63.720
flat angles P-C4'-P energy: -38.279
tors. eta vs tors. theta energy: -60.523
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: 4, replica: 4
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -835.612521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.612521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.612521 (E_RNA)
where:
Base-Base interactions energy: -588.286
where: short stacking energy: -235.687
Base-Backbone interact. energy: -0.769
local terms energy: -246.557548
where:
bonds (distance) C4'-P energy: -47.204
bonds (distance) P-C4' energy: -48.577
flat angles C4'-P-C4' energy: -47.843
flat angles P-C4'-P energy: -36.173
tors. eta vs tors. theta energy: -66.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -804.724559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.724559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.724559 (E_RNA)
where:
Base-Base interactions energy: -559.337
where: short stacking energy: -235.808
Base-Backbone interact. energy: -0.430
local terms energy: -244.958198
where:
bonds (distance) C4'-P energy: -45.783
bonds (distance) P-C4' energy: -34.933
flat angles C4'-P-C4' energy: -60.571
flat angles P-C4'-P energy: -35.617
tors. eta vs tors. theta energy: -68.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -776.315112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.315112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.315112 (E_RNA)
where:
Base-Base interactions energy: -546.456
where: short stacking energy: -203.188
Base-Backbone interact. energy: -0.660
local terms energy: -229.199538
where:
bonds (distance) C4'-P energy: -43.859
bonds (distance) P-C4' energy: -47.182
flat angles C4'-P-C4' energy: -47.483
flat angles P-C4'-P energy: -34.512
tors. eta vs tors. theta energy: -56.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -715.217731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.217731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.217731 (E_RNA)
where:
Base-Base interactions energy: -486.654
where: short stacking energy: -208.674
Base-Backbone interact. energy: -0.435
local terms energy: -228.129081
where:
bonds (distance) C4'-P energy: -42.198
bonds (distance) P-C4' energy: -47.696
flat angles C4'-P-C4' energy: -51.306
flat angles P-C4'-P energy: -27.042
tors. eta vs tors. theta energy: -59.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -642.337599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.337599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.337599 (E_RNA)
where:
Base-Base interactions energy: -450.690
where: short stacking energy: -195.935
Base-Backbone interact. energy: -1.156
local terms energy: -190.491057
where:
bonds (distance) C4'-P energy: -33.982
bonds (distance) P-C4' energy: -42.976
flat angles C4'-P-C4' energy: -39.619
flat angles P-C4'-P energy: -23.942
tors. eta vs tors. theta energy: -49.971
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: 270
Temperature: 1.300000
Total energy: -416.296971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.296971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.296971 (E_RNA)
where:
Base-Base interactions energy: -245.245
where: short stacking energy: -124.592
Base-Backbone interact. energy: 1.413
local terms energy: -172.465549
where:
bonds (distance) C4'-P energy: -44.354
bonds (distance) P-C4' energy: -35.272
flat angles C4'-P-C4' energy: -41.119
flat angles P-C4'-P energy: -26.819
tors. eta vs tors. theta energy: -24.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -242.536786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.536786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.536786 (E_RNA)
where:
Base-Base interactions energy: -87.984
where: short stacking energy: -81.763
Base-Backbone interact. energy: -0.594
local terms energy: -153.958317
where:
bonds (distance) C4'-P energy: -41.922
bonds (distance) P-C4' energy: -44.806
flat angles C4'-P-C4' energy: -36.967
flat angles P-C4'-P energy: -18.502
tors. eta vs tors. theta energy: -11.761
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: 1
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -961.705511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.705511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.705511 (E_RNA)
where:
Base-Base interactions energy: -656.592
where: short stacking energy: -301.552
Base-Backbone interact. energy: -0.128
local terms energy: -304.985117
where:
bonds (distance) C4'-P energy: -58.833
bonds (distance) P-C4' energy: -51.083
flat angles C4'-P-C4' energy: -63.664
flat angles P-C4'-P energy: -39.561
tors. eta vs tors. theta energy: -91.844
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: 2
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -918.725013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.725013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.725013 (E_RNA)
where:
Base-Base interactions energy: -643.627
where: short stacking energy: -280.408
Base-Backbone interact. energy: -1.324
local terms energy: -273.774293
where:
bonds (distance) C4'-P energy: -57.503
bonds (distance) P-C4' energy: -43.968
flat angles C4'-P-C4' energy: -57.437
flat angles P-C4'-P energy: -37.010
tors. eta vs tors. theta energy: -77.857
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: 10
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -871.097952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.097952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.097952 (E_RNA)
where:
Base-Base interactions energy: -597.654
where: short stacking energy: -246.867
Base-Backbone interact. energy: -0.965
local terms energy: -272.479337
where:
bonds (distance) C4'-P energy: -47.217
bonds (distance) P-C4' energy: -59.343
flat angles C4'-P-C4' energy: -50.848
flat angles P-C4'-P energy: -42.685
tors. eta vs tors. theta energy: -72.387
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: 8
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -833.969196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.969196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.969196 (E_RNA)
where:
Base-Base interactions energy: -573.015
where: short stacking energy: -243.030
Base-Backbone interact. energy: 0.051
local terms energy: -261.005495
where:
bonds (distance) C4'-P energy: -40.797
bonds (distance) P-C4' energy: -55.820
flat angles C4'-P-C4' energy: -53.759
flat angles P-C4'-P energy: -32.801
tors. eta vs tors. theta energy: -77.828
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: 5, replica: 4
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -788.188726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.188726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.188726 (E_RNA)
where:
Base-Base interactions energy: -537.278
where: short stacking energy: -227.537
Base-Backbone interact. energy: -2.680
local terms energy: -248.231031
where:
bonds (distance) C4'-P energy: -43.034
bonds (distance) P-C4' energy: -43.423
flat angles C4'-P-C4' energy: -59.791
flat angles P-C4'-P energy: -39.168
tors. eta vs tors. theta energy: -62.816
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: 5
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -725.779733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.779733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.779733 (E_RNA)
where:
Base-Base interactions energy: -496.196
where: short stacking energy: -208.810
Base-Backbone interact. energy: 2.744
local terms energy: -232.328173
where:
bonds (distance) C4'-P energy: -51.283
bonds (distance) P-C4' energy: -47.163
flat angles C4'-P-C4' energy: -48.975
flat angles P-C4'-P energy: -35.079
tors. eta vs tors. theta energy: -49.828
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: 3
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -747.040563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.040563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.040563 (E_RNA)
where:
Base-Base interactions energy: -517.647
where: short stacking energy: -217.014
Base-Backbone interact. energy: -0.018
local terms energy: -229.375750
where:
bonds (distance) C4'-P energy: -30.239
bonds (distance) P-C4' energy: -52.931
flat angles C4'-P-C4' energy: -49.251
flat angles P-C4'-P energy: -36.479
tors. eta vs tors. theta energy: -60.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -744.962120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.962120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.962120 (E_RNA)
where:
Base-Base interactions energy: -520.668
where: short stacking energy: -231.311
Base-Backbone interact. energy: -0.031
local terms energy: -224.262885
where:
bonds (distance) C4'-P energy: -41.783
bonds (distance) P-C4' energy: -47.628
flat angles C4'-P-C4' energy: -47.383
flat angles P-C4'-P energy: -28.687
tors. eta vs tors. theta energy: -58.782
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: 9, replica: 9
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -455.930340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.930340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.930340 (E_RNA)
where:
Base-Base interactions energy: -274.221
where: short stacking energy: -144.411
Base-Backbone interact. energy: -0.442
local terms energy: -181.268073
where:
bonds (distance) C4'-P energy: -41.086
bonds (distance) P-C4' energy: -45.611
flat angles C4'-P-C4' energy: -33.050
flat angles P-C4'-P energy: -26.736
tors. eta vs tors. theta energy: -34.784
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: 6
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -224.736761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.736761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.736761 (E_RNA)
where:
Base-Base interactions energy: -70.085
where: short stacking energy: -65.781
Base-Backbone interact. energy: -0.704
local terms energy: -153.947337
where:
bonds (distance) C4'-P energy: -39.220
bonds (distance) P-C4' energy: -54.824
flat angles C4'-P-C4' energy: -37.996
flat angles P-C4'-P energy: -20.600
tors. eta vs tors. theta energy: -1.307
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: 1
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -974.801864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.801864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.801864 (E_RNA)
where:
Base-Base interactions energy: -673.230
where: short stacking energy: -303.218
Base-Backbone interact. energy: -1.444
local terms energy: -300.127399
where:
bonds (distance) C4'-P energy: -55.650
bonds (distance) P-C4' energy: -56.986
flat angles C4'-P-C4' energy: -53.073
flat angles P-C4'-P energy: -44.978
tors. eta vs tors. theta energy: -89.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -903.325149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.325149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.325149 (E_RNA)
where:
Base-Base interactions energy: -624.303
where: short stacking energy: -251.065
Base-Backbone interact. energy: -0.164
local terms energy: -278.858062
where:
bonds (distance) C4'-P energy: -52.492
bonds (distance) P-C4' energy: -50.604
flat angles C4'-P-C4' energy: -57.008
flat angles P-C4'-P energy: -40.357
tors. eta vs tors. theta energy: -78.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -855.415809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.415809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.415809 (E_RNA)
where:
Base-Base interactions energy: -595.643
where: short stacking energy: -259.130
Base-Backbone interact. energy: -0.349
local terms energy: -259.424020
where:
bonds (distance) C4'-P energy: -52.679
bonds (distance) P-C4' energy: -48.820
flat angles C4'-P-C4' energy: -51.897
flat angles P-C4'-P energy: -35.563
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: 4, replica: 10
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -844.712067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.712067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.712067 (E_RNA)
where:
Base-Base interactions energy: -576.254
where: short stacking energy: -245.795
Base-Backbone interact. energy: -0.964
local terms energy: -267.494065
where:
bonds (distance) C4'-P energy: -53.009
bonds (distance) P-C4' energy: -47.244
flat angles C4'-P-C4' energy: -54.940
flat angles P-C4'-P energy: -44.916
tors. eta vs tors. theta energy: -67.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -791.695850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.695850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.695850 (E_RNA)
where:
Base-Base interactions energy: -565.257
where: short stacking energy: -228.492
Base-Backbone interact. energy: -1.686
local terms energy: -224.753063
where:
bonds (distance) C4'-P energy: -33.632
bonds (distance) P-C4' energy: -48.956
flat angles C4'-P-C4' energy: -48.624
flat angles P-C4'-P energy: -36.154
tors. eta vs tors. theta energy: -57.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -727.217675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.217675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.217675 (E_RNA)
where:
Base-Base interactions energy: -510.647
where: short stacking energy: -217.532
Base-Backbone interact. energy: -1.891
local terms energy: -214.680062
where:
bonds (distance) C4'-P energy: -44.305
bonds (distance) P-C4' energy: -38.968
flat angles C4'-P-C4' energy: -43.862
flat angles P-C4'-P energy: -26.326
tors. eta vs tors. theta energy: -61.219
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: 7, replica: 7
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -720.430564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.430564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.430564 (E_RNA)
where:
Base-Base interactions energy: -498.963
where: short stacking energy: -194.535
Base-Backbone interact. energy: -0.413
local terms energy: -221.054287
where:
bonds (distance) C4'-P energy: -34.440
bonds (distance) P-C4' energy: -43.266
flat angles C4'-P-C4' energy: -56.880
flat angles P-C4'-P energy: -34.676
tors. eta vs tors. theta energy: -51.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -718.541297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.541297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.541297 (E_RNA)
where:
Base-Base interactions energy: -499.615
where: short stacking energy: -214.444
Base-Backbone interact. energy: -0.469
local terms energy: -218.457189
where:
bonds (distance) C4'-P energy: -49.841
bonds (distance) P-C4' energy: -28.805
flat angles C4'-P-C4' energy: -45.370
flat angles P-C4'-P energy: -34.545
tors. eta vs tors. theta energy: -59.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -440.500680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.500680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.500680 (E_RNA)
where:
Base-Base interactions energy: -269.561
where: short stacking energy: -126.683
Base-Backbone interact. energy: -0.452
local terms energy: -170.488115
where:
bonds (distance) C4'-P energy: -52.582
bonds (distance) P-C4' energy: -50.748
flat angles C4'-P-C4' energy: -32.727
flat angles P-C4'-P energy: -16.052
tors. eta vs tors. theta energy: -18.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -224.835468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.835468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.835468 (E_RNA)
where:
Base-Base interactions energy: -72.290
where: short stacking energy: -64.972
Base-Backbone interact. energy: 1.062
local terms energy: -153.607581
where:
bonds (distance) C4'-P energy: -45.344
bonds (distance) P-C4' energy: -38.725
flat angles C4'-P-C4' energy: -34.359
flat angles P-C4'-P energy: -33.491
tors. eta vs tors. theta energy: -1.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -965.064189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.064189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.064189 (E_RNA)
where:
Base-Base interactions energy: -662.990
where: short stacking energy: -280.652
Base-Backbone interact. energy: -1.120
local terms energy: -300.954124
where:
bonds (distance) C4'-P energy: -63.936
bonds (distance) P-C4' energy: -49.205
flat angles C4'-P-C4' energy: -56.379
flat angles P-C4'-P energy: -43.703
tors. eta vs tors. theta energy: -87.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -919.488657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.488657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.488657 (E_RNA)
where:
Base-Base interactions energy: -643.704
where: short stacking energy: -272.187
Base-Backbone interact. energy: -1.253
local terms energy: -274.532208
where:
bonds (distance) C4'-P energy: -44.508
bonds (distance) P-C4' energy: -48.803
flat angles C4'-P-C4' energy: -60.039
flat angles P-C4'-P energy: -42.935
tors. eta vs tors. theta energy: -78.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -875.145597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.145597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.145597 (E_RNA)
where:
Base-Base interactions energy: -600.412
where: short stacking energy: -244.501
Base-Backbone interact. energy: 0.144
local terms energy: -274.877239
where:
bonds (distance) C4'-P energy: -45.130
bonds (distance) P-C4' energy: -53.998
flat angles C4'-P-C4' energy: -56.167
flat angles P-C4'-P energy: -41.329
tors. eta vs tors. theta energy: -78.254
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: 10
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -855.421010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.421010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.421010 (E_RNA)
where:
Base-Base interactions energy: -587.803
where: short stacking energy: -251.096
Base-Backbone interact. energy: -1.190
local terms energy: -266.428486
where:
bonds (distance) C4'-P energy: -56.699
bonds (distance) P-C4' energy: -49.745
flat angles C4'-P-C4' energy: -47.762
flat angles P-C4'-P energy: -37.943
tors. eta vs tors. theta energy: -74.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -830.255580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.255580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.255580 (E_RNA)
where:
Base-Base interactions energy: -557.142
where: short stacking energy: -227.236
Base-Backbone interact. energy: -1.074
local terms energy: -272.039470
where:
bonds (distance) C4'-P energy: -48.472
bonds (distance) P-C4' energy: -57.613
flat angles C4'-P-C4' energy: -55.632
flat angles P-C4'-P energy: -37.179
tors. eta vs tors. theta energy: -73.144
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: 273
Temperature: 1.150000
Total energy: -748.984946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.984946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.984946 (E_RNA)
where:
Base-Base interactions energy: -508.741
where: short stacking energy: -213.850
Base-Backbone interact. energy: -0.199
local terms energy: -240.044799
where:
bonds (distance) C4'-P energy: -42.124
bonds (distance) P-C4' energy: -46.680
flat angles C4'-P-C4' energy: -57.717
flat angles P-C4'-P energy: -30.230
tors. eta vs tors. theta energy: -63.294
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: 5
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -686.491005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.491005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.491005 (E_RNA)
where:
Base-Base interactions energy: -451.323
where: short stacking energy: -185.430
Base-Backbone interact. energy: -1.423
local terms energy: -233.744936
where:
bonds (distance) C4'-P energy: -54.844
bonds (distance) P-C4' energy: -43.400
flat angles C4'-P-C4' energy: -57.348
flat angles P-C4'-P energy: -33.555
tors. eta vs tors. theta energy: -44.597
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: 8, replica: 3
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -746.649080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.649080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.649080 (E_RNA)
where:
Base-Base interactions energy: -517.604
where: short stacking energy: -213.221
Base-Backbone interact. energy: 1.816
local terms energy: -230.861263
where:
bonds (distance) C4'-P energy: -39.790
bonds (distance) P-C4' energy: -49.098
flat angles C4'-P-C4' energy: -46.205
flat angles P-C4'-P energy: -36.325
tors. eta vs tors. theta energy: -59.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -448.155015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.155015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.155015 (E_RNA)
where:
Base-Base interactions energy: -280.122
where: short stacking energy: -130.970
Base-Backbone interact. energy: 0.880
local terms energy: -168.913050
where:
bonds (distance) C4'-P energy: -38.024
bonds (distance) P-C4' energy: -50.562
flat angles C4'-P-C4' energy: -38.896
flat angles P-C4'-P energy: -24.899
tors. eta vs tors. theta energy: -16.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -238.021063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.021063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.021063 (E_RNA)
where:
Base-Base interactions energy: -90.292
where: short stacking energy: -81.465
Base-Backbone interact. energy: 0.859
local terms energy: -148.588656
where:
bonds (distance) C4'-P energy: -51.346
bonds (distance) P-C4' energy: -44.845
flat angles C4'-P-C4' energy: -32.620
flat angles P-C4'-P energy: -24.127
tors. eta vs tors. theta energy: 4.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -957.709035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.709035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.709035 (E_RNA)
where:
Base-Base interactions energy: -670.872
where: short stacking energy: -298.623
Base-Backbone interact. energy: 1.016
local terms energy: -287.853249
where:
bonds (distance) C4'-P energy: -51.617
bonds (distance) P-C4' energy: -53.927
flat angles C4'-P-C4' energy: -53.627
flat angles P-C4'-P energy: -37.563
tors. eta vs tors. theta energy: -91.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -922.707093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.707093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.707093 (E_RNA)
where:
Base-Base interactions energy: -630.004
where: short stacking energy: -268.737
Base-Backbone interact. energy: -1.231
local terms energy: -291.471842
where:
bonds (distance) C4'-P energy: -55.980
bonds (distance) P-C4' energy: -49.102
flat angles C4'-P-C4' energy: -57.944
flat angles P-C4'-P energy: -45.941
tors. eta vs tors. theta energy: -82.506
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: 8
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -868.416712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.416712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.416712 (E_RNA)
where:
Base-Base interactions energy: -604.835
where: short stacking energy: -251.522
Base-Backbone interact. energy: 0.005
local terms energy: -263.586275
where:
bonds (distance) C4'-P energy: -49.686
bonds (distance) P-C4' energy: -47.793
flat angles C4'-P-C4' energy: -51.483
flat angles P-C4'-P energy: -45.004
tors. eta vs tors. theta energy: -69.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -850.680319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.680319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.680319 (E_RNA)
where:
Base-Base interactions energy: -594.893
where: short stacking energy: -242.917
Base-Backbone interact. energy: 0.772
local terms energy: -256.559854
where:
bonds (distance) C4'-P energy: -46.335
bonds (distance) P-C4' energy: -52.082
flat angles C4'-P-C4' energy: -58.846
flat angles P-C4'-P energy: -31.845
tors. eta vs tors. theta energy: -67.453
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: 4
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -824.394925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.394925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.394925 (E_RNA)
where:
Base-Base interactions energy: -567.564
where: short stacking energy: -237.013
Base-Backbone interact. energy: 0.450
local terms energy: -257.281227
where:
bonds (distance) C4'-P energy: -48.741
bonds (distance) P-C4' energy: -49.044
flat angles C4'-P-C4' energy: -51.122
flat angles P-C4'-P energy: -31.938
tors. eta vs tors. theta energy: -76.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -759.270600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.270600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.270600 (E_RNA)
where:
Base-Base interactions energy: -537.735
where: short stacking energy: -222.594
Base-Backbone interact. energy: -0.739
local terms energy: -220.795870
where:
bonds (distance) C4'-P energy: -44.808
bonds (distance) P-C4' energy: -39.483
flat angles C4'-P-C4' energy: -43.937
flat angles P-C4'-P energy: -27.542
tors. eta vs tors. theta energy: -65.027
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: 3
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -752.262853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.262853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.262853 (E_RNA)
where:
Base-Base interactions energy: -531.716
where: short stacking energy: -217.420
Base-Backbone interact. energy: -0.107
local terms energy: -220.439771
where:
bonds (distance) C4'-P energy: -40.023
bonds (distance) P-C4' energy: -29.225
flat angles C4'-P-C4' energy: -49.417
flat angles P-C4'-P energy: -38.250
tors. eta vs tors. theta energy: -63.525
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: 8, replica: 5
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -678.908983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.908983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.908983 (E_RNA)
where:
Base-Base interactions energy: -433.478
where: short stacking energy: -178.493
Base-Backbone interact. energy: -2.589
local terms energy: -242.842196
where:
bonds (distance) C4'-P energy: -48.369
bonds (distance) P-C4' energy: -50.665
flat angles C4'-P-C4' energy: -54.576
flat angles P-C4'-P energy: -35.213
tors. eta vs tors. theta energy: -54.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -427.170113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.170113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.170113 (E_RNA)
where:
Base-Base interactions energy: -265.439
where: short stacking energy: -119.532
Base-Backbone interact. energy: 1.855
local terms energy: -163.586051
where:
bonds (distance) C4'-P energy: -43.463
bonds (distance) P-C4' energy: -42.364
flat angles C4'-P-C4' energy: -31.010
flat angles P-C4'-P energy: -26.549
tors. eta vs tors. theta energy: -20.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -230.320820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.320820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.320820 (E_RNA)
where:
Base-Base interactions energy: -83.773
where: short stacking energy: -75.308
Base-Backbone interact. energy: 1.248
local terms energy: -147.795875
where:
bonds (distance) C4'-P energy: -42.606
bonds (distance) P-C4' energy: -43.199
flat angles C4'-P-C4' energy: -39.085
flat angles P-C4'-P energy: -34.888
tors. eta vs tors. theta energy: 11.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -952.483775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.483775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.483775 (E_RNA)
where:
Base-Base interactions energy: -653.451
where: short stacking energy: -291.233
Base-Backbone interact. energy: -0.973
local terms energy: -298.060044
where:
bonds (distance) C4'-P energy: -55.142
bonds (distance) P-C4' energy: -51.284
flat angles C4'-P-C4' energy: -65.645
flat angles P-C4'-P energy: -41.239
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: 2, replica: 2
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -925.674173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.674173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.674173 (E_RNA)
where:
Base-Base interactions energy: -643.345
where: short stacking energy: -268.879
Base-Backbone interact. energy: -1.058
local terms energy: -281.270863
where:
bonds (distance) C4'-P energy: -52.187
bonds (distance) P-C4' energy: -56.880
flat angles C4'-P-C4' energy: -53.555
flat angles P-C4'-P energy: -38.268
tors. eta vs tors. theta energy: -80.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -881.405417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.405417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.405417 (E_RNA)
where:
Base-Base interactions energy: -608.427
where: short stacking energy: -265.152
Base-Backbone interact. energy: -0.706
local terms energy: -272.272960
where:
bonds (distance) C4'-P energy: -43.263
bonds (distance) P-C4' energy: -47.077
flat angles C4'-P-C4' energy: -60.540
flat angles P-C4'-P energy: -42.387
tors. eta vs tors. theta energy: -79.005
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: 10
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -833.755218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.755218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.755218 (E_RNA)
where:
Base-Base interactions energy: -583.922
where: short stacking energy: -252.162
Base-Backbone interact. energy: -0.332
local terms energy: -249.500369
where:
bonds (distance) C4'-P energy: -37.836
bonds (distance) P-C4' energy: -44.821
flat angles C4'-P-C4' energy: -54.150
flat angles P-C4'-P energy: -38.143
tors. eta vs tors. theta energy: -74.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -815.028818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.028818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.028818 (E_RNA)
where:
Base-Base interactions energy: -575.735
where: short stacking energy: -247.398
Base-Backbone interact. energy: -1.470
local terms energy: -237.823230
where:
bonds (distance) C4'-P energy: -39.096
bonds (distance) P-C4' energy: -47.173
flat angles C4'-P-C4' energy: -48.023
flat angles P-C4'-P energy: -34.115
tors. eta vs tors. theta energy: -69.416
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: 3
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -752.049574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.049574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.049574 (E_RNA)
where:
Base-Base interactions energy: -514.337
where: short stacking energy: -214.891
Base-Backbone interact. energy: -0.910
local terms energy: -236.802200
where:
bonds (distance) C4'-P energy: -43.123
bonds (distance) P-C4' energy: -52.268
flat angles C4'-P-C4' energy: -47.697
flat angles P-C4'-P energy: -30.905
tors. eta vs tors. theta energy: -62.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -732.700087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.700087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.700087 (E_RNA)
where:
Base-Base interactions energy: -487.728
where: short stacking energy: -210.732
Base-Backbone interact. energy: -1.012
local terms energy: -243.960117
where:
bonds (distance) C4'-P energy: -50.553
bonds (distance) P-C4' energy: -47.002
flat angles C4'-P-C4' energy: -56.997
flat angles P-C4'-P energy: -34.261
tors. eta vs tors. theta energy: -55.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -728.067500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.067500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.067500 (E_RNA)
where:
Base-Base interactions energy: -502.699
where: short stacking energy: -201.589
Base-Backbone interact. energy: -0.724
local terms energy: -224.645436
where:
bonds (distance) C4'-P energy: -41.808
bonds (distance) P-C4' energy: -46.984
flat angles C4'-P-C4' energy: -44.559
flat angles P-C4'-P energy: -29.209
tors. eta vs tors. theta energy: -62.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -425.330811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.330811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.330811 (E_RNA)
where:
Base-Base interactions energy: -245.685
where: short stacking energy: -114.625
Base-Backbone interact. energy: -1.107
local terms energy: -178.538857
where:
bonds (distance) C4'-P energy: -44.809
bonds (distance) P-C4' energy: -44.844
flat angles C4'-P-C4' energy: -44.435
flat angles P-C4'-P energy: -25.129
tors. eta vs tors. theta energy: -19.321
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: 6
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -215.538142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.538142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.538142 (E_RNA)
where:
Base-Base interactions energy: -62.212
where: short stacking energy: -41.065
Base-Backbone interact. energy: -0.801
local terms energy: -152.524703
where:
bonds (distance) C4'-P energy: -51.125
bonds (distance) P-C4' energy: -52.773
flat angles C4'-P-C4' energy: -33.218
flat angles P-C4'-P energy: -29.305
tors. eta vs tors. theta energy: 13.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -945.318730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.318730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.318730 (E_RNA)
where:
Base-Base interactions energy: -659.431
where: short stacking energy: -299.832
Base-Backbone interact. energy: -1.323
local terms energy: -284.565166
where:
bonds (distance) C4'-P energy: -50.664
bonds (distance) P-C4' energy: -49.056
flat angles C4'-P-C4' energy: -58.342
flat angles P-C4'-P energy: -38.662
tors. eta vs tors. theta energy: -87.841
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: 2, replica: 2
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -917.273087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.273087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.273087 (E_RNA)
where:
Base-Base interactions energy: -637.932
where: short stacking energy: -262.090
Base-Backbone interact. energy: -2.052
local terms energy: -277.289781
where:
bonds (distance) C4'-P energy: -43.015
bonds (distance) P-C4' energy: -55.110
flat angles C4'-P-C4' energy: -57.774
flat angles P-C4'-P energy: -43.297
tors. eta vs tors. theta energy: -78.094
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: 8
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -877.973916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.973916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.973916 (E_RNA)
where:
Base-Base interactions energy: -620.020
where: short stacking energy: -258.792
Base-Backbone interact. energy: -0.675
local terms energy: -257.278806
where:
bonds (distance) C4'-P energy: -40.037
bonds (distance) P-C4' energy: -50.706
flat angles C4'-P-C4' energy: -58.640
flat angles P-C4'-P energy: -32.515
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: 4, replica: 10
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -849.658806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.658806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.658806 (E_RNA)
where:
Base-Base interactions energy: -590.196
where: short stacking energy: -235.502
Base-Backbone interact. energy: -1.153
local terms energy: -258.309319
where:
bonds (distance) C4'-P energy: -51.206
bonds (distance) P-C4' energy: -57.268
flat angles C4'-P-C4' energy: -53.445
flat angles P-C4'-P energy: -33.445
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: 4
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -809.516175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.516175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.516175 (E_RNA)
where:
Base-Base interactions energy: -565.367
where: short stacking energy: -242.032
Base-Backbone interact. energy: -0.945
local terms energy: -243.203731
where:
bonds (distance) C4'-P energy: -43.277
bonds (distance) P-C4' energy: -42.111
flat angles C4'-P-C4' energy: -47.213
flat angles P-C4'-P energy: -42.152
tors. eta vs tors. theta energy: -68.450
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: 6, replica: 3
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -767.618835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.618835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.618835 (E_RNA)
where:
Base-Base interactions energy: -536.616
where: short stacking energy: -209.829
Base-Backbone interact. energy: -1.104
local terms energy: -229.898490
where:
bonds (distance) C4'-P energy: -38.464
bonds (distance) P-C4' energy: -47.515
flat angles C4'-P-C4' energy: -53.269
flat angles P-C4'-P energy: -31.814
tors. eta vs tors. theta energy: -58.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -728.507624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.507624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.507624 (E_RNA)
where:
Base-Base interactions energy: -507.133
where: short stacking energy: -206.227
Base-Backbone interact. energy: -0.656
local terms energy: -220.718939
where:
bonds (distance) C4'-P energy: -44.529
bonds (distance) P-C4' energy: -39.351
flat angles C4'-P-C4' energy: -49.968
flat angles P-C4'-P energy: -32.599
tors. eta vs tors. theta energy: -54.272
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: 276
Temperature: 1.250000
Total energy: -691.211966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.211966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.211966 (E_RNA)
where:
Base-Base interactions energy: -477.441
where: short stacking energy: -194.683
Base-Backbone interact. energy: -0.578
local terms energy: -213.193585
where:
bonds (distance) C4'-P energy: -42.045
bonds (distance) P-C4' energy: -49.463
flat angles C4'-P-C4' energy: -37.943
flat angles P-C4'-P energy: -31.989
tors. eta vs tors. theta energy: -51.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -378.896876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.896876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.896876 (E_RNA)
where:
Base-Base interactions energy: -221.875
where: short stacking energy: -123.485
Base-Backbone interact. energy: -1.119
local terms energy: -155.902413
where:
bonds (distance) C4'-P energy: -38.169
bonds (distance) P-C4' energy: -43.508
flat angles C4'-P-C4' energy: -33.510
flat angles P-C4'-P energy: -26.332
tors. eta vs tors. theta energy: -14.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -222.248901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.248901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.248901 (E_RNA)
where:
Base-Base interactions energy: -89.297
where: short stacking energy: -72.249
Base-Backbone interact. energy: 1.302
local terms energy: -134.253295
where:
bonds (distance) C4'-P energy: -37.814
bonds (distance) P-C4' energy: -49.919
flat angles C4'-P-C4' energy: -43.839
flat angles P-C4'-P energy: -9.291
tors. eta vs tors. theta energy: 6.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -926.204093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.204093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.204093 (E_RNA)
where:
Base-Base interactions energy: -624.568
where: short stacking energy: -273.878
Base-Backbone interact. energy: -0.286
local terms energy: -301.350084
where:
bonds (distance) C4'-P energy: -54.959
bonds (distance) P-C4' energy: -53.182
flat angles C4'-P-C4' energy: -59.705
flat angles P-C4'-P energy: -47.435
tors. eta vs tors. theta energy: -86.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -895.721144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.721144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.721144 (E_RNA)
where:
Base-Base interactions energy: -625.566
where: short stacking energy: -255.513
Base-Backbone interact. energy: -1.025
local terms energy: -269.129963
where:
bonds (distance) C4'-P energy: -45.063
bonds (distance) P-C4' energy: -51.271
flat angles C4'-P-C4' energy: -57.908
flat angles P-C4'-P energy: -36.093
tors. eta vs tors. theta energy: -78.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -904.645804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.645804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.645804 (E_RNA)
where:
Base-Base interactions energy: -620.805
where: short stacking energy: -248.691
Base-Backbone interact. energy: -2.619
local terms energy: -281.221470
where:
bonds (distance) C4'-P energy: -55.047
bonds (distance) P-C4' energy: -49.938
flat angles C4'-P-C4' energy: -56.629
flat angles P-C4'-P energy: -40.252
tors. eta vs tors. theta energy: -79.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -861.028859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.028859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.028859 (E_RNA)
where:
Base-Base interactions energy: -582.905
where: short stacking energy: -253.911
Base-Backbone interact. energy: -1.060
local terms energy: -277.063952
where:
bonds (distance) C4'-P energy: -56.268
bonds (distance) P-C4' energy: -59.135
flat angles C4'-P-C4' energy: -59.038
flat angles P-C4'-P energy: -32.753
tors. eta vs tors. theta energy: -69.870
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: 10
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -829.244993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.244993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.244993 (E_RNA)
where:
Base-Base interactions energy: -587.903
where: short stacking energy: -244.273
Base-Backbone interact. energy: 0.289
local terms energy: -241.630121
where:
bonds (distance) C4'-P energy: -35.698
bonds (distance) P-C4' energy: -45.835
flat angles C4'-P-C4' energy: -55.270
flat angles P-C4'-P energy: -28.710
tors. eta vs tors. theta energy: -76.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -728.532731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.532731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.532731 (E_RNA)
where:
Base-Base interactions energy: -507.269
where: short stacking energy: -207.034
Base-Backbone interact. energy: 1.318
local terms energy: -222.581303
where:
bonds (distance) C4'-P energy: -44.341
bonds (distance) P-C4' energy: -44.856
flat angles C4'-P-C4' energy: -44.798
flat angles P-C4'-P energy: -31.001
tors. eta vs tors. theta energy: -57.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -792.486110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.486110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.486110 (E_RNA)
where:
Base-Base interactions energy: -546.193
where: short stacking energy: -231.033
Base-Backbone interact. energy: 0.484
local terms energy: -246.776794
where:
bonds (distance) C4'-P energy: -46.818
bonds (distance) P-C4' energy: -42.631
flat angles C4'-P-C4' energy: -58.325
flat angles P-C4'-P energy: -40.419
tors. eta vs tors. theta energy: -58.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -676.817031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.817031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.817031 (E_RNA)
where:
Base-Base interactions energy: -475.986
where: short stacking energy: -182.613
Base-Backbone interact. energy: -1.136
local terms energy: -199.694648
where:
bonds (distance) C4'-P energy: -43.687
bonds (distance) P-C4' energy: -37.315
flat angles C4'-P-C4' energy: -34.071
flat angles P-C4'-P energy: -38.290
tors. eta vs tors. theta energy: -46.332
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: 9, replica: 9
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -371.001614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.001614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.001614 (E_RNA)
where:
Base-Base interactions energy: -195.180
where: short stacking energy: -104.631
Base-Backbone interact. energy: -0.432
local terms energy: -175.389340
where:
bonds (distance) C4'-P energy: -28.527
bonds (distance) P-C4' energy: -46.835
flat angles C4'-P-C4' energy: -49.581
flat angles P-C4'-P energy: -42.079
tors. eta vs tors. theta energy: -8.368
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: 6
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -234.308768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.308768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.308768 (E_RNA)
where:
Base-Base interactions energy: -95.902
where: short stacking energy: -87.769
Base-Backbone interact. energy: 0.394
local terms energy: -138.800440
where:
bonds (distance) C4'-P energy: -34.196
bonds (distance) P-C4' energy: -52.236
flat angles C4'-P-C4' energy: -33.572
flat angles P-C4'-P energy: -21.316
tors. eta vs tors. theta energy: 2.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -947.471771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.471771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.471771 (E_RNA)
where:
Base-Base interactions energy: -660.236
where: short stacking energy: -293.033
Base-Backbone interact. energy: -0.425
local terms energy: -286.810853
where:
bonds (distance) C4'-P energy: -54.851
bonds (distance) P-C4' energy: -46.034
flat angles C4'-P-C4' energy: -61.499
flat angles P-C4'-P energy: -38.669
tors. eta vs tors. theta energy: -85.758
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: 8
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -894.828228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.828228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.828228 (E_RNA)
where:
Base-Base interactions energy: -616.280
where: short stacking energy: -258.514
Base-Backbone interact. energy: -1.526
local terms energy: -277.022253
where:
bonds (distance) C4'-P energy: -52.709
bonds (distance) P-C4' energy: -59.684
flat angles C4'-P-C4' energy: -46.315
flat angles P-C4'-P energy: -36.822
tors. eta vs tors. theta energy: -81.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -901.391708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.391708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.391708 (E_RNA)
where:
Base-Base interactions energy: -629.259
where: short stacking energy: -260.893
Base-Backbone interact. energy: -1.299
local terms energy: -270.833667
where:
bonds (distance) C4'-P energy: -45.823
bonds (distance) P-C4' energy: -51.290
flat angles C4'-P-C4' energy: -56.281
flat angles P-C4'-P energy: -37.925
tors. eta vs tors. theta energy: -79.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -858.981990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.981990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.981990 (E_RNA)
where:
Base-Base interactions energy: -603.926
where: short stacking energy: -246.732
Base-Backbone interact. energy: -1.614
local terms energy: -253.441589
where:
bonds (distance) C4'-P energy: -49.561
bonds (distance) P-C4' energy: -44.344
flat angles C4'-P-C4' energy: -53.930
flat angles P-C4'-P energy: -30.255
tors. eta vs tors. theta energy: -75.351
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: 278
Temperature: 1.100000
Total energy: -833.142296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.142296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.142296 (E_RNA)
where:
Base-Base interactions energy: -584.983
where: short stacking energy: -228.215
Base-Backbone interact. energy: -0.516
local terms energy: -247.643786
where:
bonds (distance) C4'-P energy: -48.708
bonds (distance) P-C4' energy: -50.275
flat angles C4'-P-C4' energy: -40.539
flat angles P-C4'-P energy: -40.408
tors. eta vs tors. theta energy: -67.713
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: 5
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -751.564820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.564820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.564820 (E_RNA)
where:
Base-Base interactions energy: -520.802
where: short stacking energy: -198.374
Base-Backbone interact. energy: -1.458
local terms energy: -229.304886
where:
bonds (distance) C4'-P energy: -44.233
bonds (distance) P-C4' energy: -55.526
flat angles C4'-P-C4' energy: -46.141
flat angles P-C4'-P energy: -33.713
tors. eta vs tors. theta energy: -49.692
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: 278
Temperature: 1.200000
Total energy: -714.886815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.886815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.886815 (E_RNA)
where:
Base-Base interactions energy: -496.375
where: short stacking energy: -206.141
Base-Backbone interact. energy: -0.310
local terms energy: -218.201734
where:
bonds (distance) C4'-P energy: -40.692
bonds (distance) P-C4' energy: -39.597
flat angles C4'-P-C4' energy: -51.064
flat angles P-C4'-P energy: -33.014
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: 3
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -748.753449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.753449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.753449 (E_RNA)
where:
Base-Base interactions energy: -511.054
where: short stacking energy: -210.122
Base-Backbone interact. energy: 0.998
local terms energy: -238.697724
where:
bonds (distance) C4'-P energy: -45.169
bonds (distance) P-C4' energy: -43.764
flat angles C4'-P-C4' energy: -50.722
flat angles P-C4'-P energy: -36.850
tors. eta vs tors. theta energy: -62.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -382.778368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.778368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.778368 (E_RNA)
where:
Base-Base interactions energy: -198.677
where: short stacking energy: -108.362
Base-Backbone interact. energy: 0.197
local terms energy: -184.298769
where:
bonds (distance) C4'-P energy: -45.376
bonds (distance) P-C4' energy: -41.696
flat angles C4'-P-C4' energy: -51.229
flat angles P-C4'-P energy: -27.344
tors. eta vs tors. theta energy: -18.654
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: 6
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -221.729934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.729934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.729934 (E_RNA)
where:
Base-Base interactions energy: -75.351
where: short stacking energy: -54.825
Base-Backbone interact. energy: -0.952
local terms energy: -145.426878
where:
bonds (distance) C4'-P energy: -52.707
bonds (distance) P-C4' energy: -45.624
flat angles C4'-P-C4' energy: -28.028
flat angles P-C4'-P energy: -25.186
tors. eta vs tors. theta energy: 6.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -950.021094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.021094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.021094 (E_RNA)
where:
Base-Base interactions energy: -657.976
where: short stacking energy: -287.800
Base-Backbone interact. energy: -1.147
local terms energy: -290.898533
where:
bonds (distance) C4'-P energy: -56.326
bonds (distance) P-C4' energy: -54.195
flat angles C4'-P-C4' energy: -56.238
flat angles P-C4'-P energy: -40.197
tors. eta vs tors. theta energy: -83.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -886.698312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.698312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.698312 (E_RNA)
where:
Base-Base interactions energy: -622.111
where: short stacking energy: -261.187
Base-Backbone interact. energy: -1.209
local terms energy: -263.378170
where:
bonds (distance) C4'-P energy: -47.038
bonds (distance) P-C4' energy: -40.960
flat angles C4'-P-C4' energy: -61.846
flat angles P-C4'-P energy: -36.949
tors. eta vs tors. theta energy: -76.586
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: 2
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -887.347985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.347985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.347985 (E_RNA)
where:
Base-Base interactions energy: -621.311
where: short stacking energy: -259.247
Base-Backbone interact. energy: -0.439
local terms energy: -265.597588
where:
bonds (distance) C4'-P energy: -48.346
bonds (distance) P-C4' energy: -49.010
flat angles C4'-P-C4' energy: -60.450
flat angles P-C4'-P energy: -32.898
tors. eta vs tors. theta energy: -74.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -883.248365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.248365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.248365 (E_RNA)
where:
Base-Base interactions energy: -610.582
where: short stacking energy: -254.625
Base-Backbone interact. energy: -0.364
local terms energy: -272.302260
where:
bonds (distance) C4'-P energy: -53.568
bonds (distance) P-C4' energy: -55.982
flat angles C4'-P-C4' energy: -52.452
flat angles P-C4'-P energy: -36.319
tors. eta vs tors. theta energy: -73.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -807.350203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.350203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.350203 (E_RNA)
where:
Base-Base interactions energy: -554.005
where: short stacking energy: -235.376
Base-Backbone interact. energy: -0.420
local terms energy: -252.925556
where:
bonds (distance) C4'-P energy: -42.147
bonds (distance) P-C4' energy: -54.411
flat angles C4'-P-C4' energy: -54.062
flat angles P-C4'-P energy: -34.599
tors. eta vs tors. theta energy: -67.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -755.364538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.364538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.364538 (E_RNA)
where:
Base-Base interactions energy: -495.818
where: short stacking energy: -218.983
Base-Backbone interact. energy: -0.417
local terms energy: -259.130010
where:
bonds (distance) C4'-P energy: -45.190
bonds (distance) P-C4' energy: -55.900
flat angles C4'-P-C4' energy: -60.629
flat angles P-C4'-P energy: -33.497
tors. eta vs tors. theta energy: -63.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -660.417592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.417592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.417592 (E_RNA)
where:
Base-Base interactions energy: -436.622
where: short stacking energy: -193.906
Base-Backbone interact. energy: -0.463
local terms energy: -223.332537
where:
bonds (distance) C4'-P energy: -44.565
bonds (distance) P-C4' energy: -49.980
flat angles C4'-P-C4' energy: -48.077
flat angles P-C4'-P energy: -38.314
tors. eta vs tors. theta energy: -42.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -716.906011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.906011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.906011 (E_RNA)
where:
Base-Base interactions energy: -484.310
where: short stacking energy: -198.828
Base-Backbone interact. energy: 3.719
local terms energy: -236.314867
where:
bonds (distance) C4'-P energy: -48.387
bonds (distance) P-C4' energy: -48.628
flat angles C4'-P-C4' energy: -48.668
flat angles P-C4'-P energy: -33.445
tors. eta vs tors. theta energy: -57.186
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: 279
Temperature: 1.300000
Total energy: -379.275056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.275056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.275056 (E_RNA)
where:
Base-Base interactions energy: -216.360
where: short stacking energy: -120.155
Base-Backbone interact. energy: 0.789
local terms energy: -163.704052
where:
bonds (distance) C4'-P energy: -39.080
bonds (distance) P-C4' energy: -42.759
flat angles C4'-P-C4' energy: -41.590
flat angles P-C4'-P energy: -23.832
tors. eta vs tors. theta energy: -16.443
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: 6
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -243.097923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.097923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.097923 (E_RNA)
where:
Base-Base interactions energy: -85.809
where: short stacking energy: -80.310
Base-Backbone interact. energy: 0.377
local terms energy: -157.666030
where:
bonds (distance) C4'-P energy: -48.593
bonds (distance) P-C4' energy: -48.702
flat angles C4'-P-C4' energy: -40.727
flat angles P-C4'-P energy: -16.625
tors. eta vs tors. theta energy: -3.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -946.648282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.648282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.648282 (E_RNA)
where:
Base-Base interactions energy: -657.031
where: short stacking energy: -279.544
Base-Backbone interact. energy: -0.960
local terms energy: -288.657720
where:
bonds (distance) C4'-P energy: -55.111
bonds (distance) P-C4' energy: -54.621
flat angles C4'-P-C4' energy: -55.296
flat angles P-C4'-P energy: -42.280
tors. eta vs tors. theta energy: -81.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -912.497919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.497919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.497919 (E_RNA)
where:
Base-Base interactions energy: -629.760
where: short stacking energy: -281.268
Base-Backbone interact. energy: -0.421
local terms energy: -282.317437
where:
bonds (distance) C4'-P energy: -48.645
bonds (distance) P-C4' energy: -50.148
flat angles C4'-P-C4' energy: -59.846
flat angles P-C4'-P energy: -39.916
tors. eta vs tors. theta energy: -83.762
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: 3, replica: 2
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -890.136626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.136626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.136626 (E_RNA)
where:
Base-Base interactions energy: -632.256
where: short stacking energy: -250.364
Base-Backbone interact. energy: 0.194
local terms energy: -258.074406
where:
bonds (distance) C4'-P energy: -45.417
bonds (distance) P-C4' energy: -48.034
flat angles C4'-P-C4' energy: -59.139
flat angles P-C4'-P energy: -35.691
tors. eta vs tors. theta energy: -69.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -854.232979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.232979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.232979 (E_RNA)
where:
Base-Base interactions energy: -578.908
where: short stacking energy: -250.338
Base-Backbone interact. energy: -0.287
local terms energy: -275.038508
where:
bonds (distance) C4'-P energy: -59.439
bonds (distance) P-C4' energy: -48.654
flat angles C4'-P-C4' energy: -61.380
flat angles P-C4'-P energy: -35.008
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: 5, replica: 10
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -833.655486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.655486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.655486 (E_RNA)
where:
Base-Base interactions energy: -563.421
where: short stacking energy: -245.055
Base-Backbone interact. energy: -0.968
local terms energy: -269.266219
where:
bonds (distance) C4'-P energy: -52.375
bonds (distance) P-C4' energy: -48.202
flat angles C4'-P-C4' energy: -59.163
flat angles P-C4'-P energy: -35.858
tors. eta vs tors. theta energy: -73.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -741.563618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.563618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.563618 (E_RNA)
where:
Base-Base interactions energy: -511.788
where: short stacking energy: -209.354
Base-Backbone interact. energy: -0.354
local terms energy: -229.421753
where:
bonds (distance) C4'-P energy: -38.281
bonds (distance) P-C4' energy: -52.960
flat angles C4'-P-C4' energy: -51.411
flat angles P-C4'-P energy: -39.370
tors. eta vs tors. theta energy: -47.400
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: 280
Temperature: 1.200000
Total energy: -664.299108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.299108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.299108 (E_RNA)
where:
Base-Base interactions energy: -450.838
where: short stacking energy: -182.774
Base-Backbone interact. energy: 6.993
local terms energy: -220.454398
where:
bonds (distance) C4'-P energy: -45.322
bonds (distance) P-C4' energy: -47.838
flat angles C4'-P-C4' energy: -50.423
flat angles P-C4'-P energy: -32.579
tors. eta vs tors. theta energy: -44.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -677.029783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.029783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.029783 (E_RNA)
where:
Base-Base interactions energy: -463.288
where: short stacking energy: -193.475
Base-Backbone interact. energy: 0.821
local terms energy: -214.563233
where:
bonds (distance) C4'-P energy: -37.456
bonds (distance) P-C4' energy: -42.146
flat angles C4'-P-C4' energy: -52.803
flat angles P-C4'-P energy: -35.698
tors. eta vs tors. theta energy: -46.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -365.326486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.326486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.326486 (E_RNA)
where:
Base-Base interactions energy: -194.579
where: short stacking energy: -108.031
Base-Backbone interact. energy: -0.334
local terms energy: -170.412954
where:
bonds (distance) C4'-P energy: -50.319
bonds (distance) P-C4' energy: -46.871
flat angles C4'-P-C4' energy: -41.498
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: -19.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -242.653285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.653285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.653285 (E_RNA)
where:
Base-Base interactions energy: -115.088
where: short stacking energy: -84.360
Base-Backbone interact. energy: 0.651
local terms energy: -128.216393
where:
bonds (distance) C4'-P energy: -28.637
bonds (distance) P-C4' energy: -38.638
flat angles C4'-P-C4' energy: -38.255
flat angles P-C4'-P energy: -21.105
tors. eta vs tors. theta energy: -1.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -930.049924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.049924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.049924 (E_RNA)
where:
Base-Base interactions energy: -632.937
where: short stacking energy: -278.947
Base-Backbone interact. energy: 0.923
local terms energy: -298.035841
where:
bonds (distance) C4'-P energy: -55.753
bonds (distance) P-C4' energy: -57.148
flat angles C4'-P-C4' energy: -63.124
flat angles P-C4'-P energy: -38.416
tors. eta vs tors. theta energy: -83.595
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: 281
Temperature: 0.950000
Total energy: -908.909958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.909958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.909958 (E_RNA)
where:
Base-Base interactions energy: -635.568
where: short stacking energy: -249.058
Base-Backbone interact. energy: -1.396
local terms energy: -271.945324
where:
bonds (distance) C4'-P energy: -53.737
bonds (distance) P-C4' energy: -49.226
flat angles C4'-P-C4' energy: -59.581
flat angles P-C4'-P energy: -39.509
tors. eta vs tors. theta energy: -69.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -903.051723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.051723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.051723 (E_RNA)
where:
Base-Base interactions energy: -621.325
where: short stacking energy: -264.046
Base-Backbone interact. energy: -0.302
local terms energy: -281.425338
where:
bonds (distance) C4'-P energy: -50.162
bonds (distance) P-C4' energy: -57.541
flat angles C4'-P-C4' energy: -56.867
flat angles P-C4'-P energy: -38.602
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: 4, replica: 10
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -855.021396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.021396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.021396 (E_RNA)
where:
Base-Base interactions energy: -593.126
where: short stacking energy: -245.842
Base-Backbone interact. energy: -0.167
local terms energy: -261.728438
where:
bonds (distance) C4'-P energy: -52.001
bonds (distance) P-C4' energy: -39.669
flat angles C4'-P-C4' energy: -57.908
flat angles P-C4'-P energy: -37.269
tors. eta vs tors. theta energy: -74.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -823.906891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.906891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.906891 (E_RNA)
where:
Base-Base interactions energy: -567.610
where: short stacking energy: -245.145
Base-Backbone interact. energy: 2.644
local terms energy: -258.941718
where:
bonds (distance) C4'-P energy: -54.566
bonds (distance) P-C4' energy: -57.752
flat angles C4'-P-C4' energy: -51.019
flat angles P-C4'-P energy: -33.371
tors. eta vs tors. theta energy: -62.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -734.605024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.605024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.605024 (E_RNA)
where:
Base-Base interactions energy: -485.066
where: short stacking energy: -209.057
Base-Backbone interact. energy: -0.591
local terms energy: -248.948131
where:
bonds (distance) C4'-P energy: -44.159
bonds (distance) P-C4' energy: -45.717
flat angles C4'-P-C4' energy: -57.580
flat angles P-C4'-P energy: -38.051
tors. eta vs tors. theta energy: -63.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -712.150102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.150102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.150102 (E_RNA)
where:
Base-Base interactions energy: -474.908
where: short stacking energy: -198.018
Base-Backbone interact. energy: -1.058
local terms energy: -236.183978
where:
bonds (distance) C4'-P energy: -45.070
bonds (distance) P-C4' energy: -49.163
flat angles C4'-P-C4' energy: -57.321
flat angles P-C4'-P energy: -27.437
tors. eta vs tors. theta energy: -57.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -667.855269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.855269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.855269 (E_RNA)
where:
Base-Base interactions energy: -456.747
where: short stacking energy: -179.640
Base-Backbone interact. energy: -0.305
local terms energy: -210.803251
where:
bonds (distance) C4'-P energy: -42.371
bonds (distance) P-C4' energy: -34.369
flat angles C4'-P-C4' energy: -49.779
flat angles P-C4'-P energy: -32.653
tors. eta vs tors. theta energy: -51.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -376.084774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.084774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.084774 (E_RNA)
where:
Base-Base interactions energy: -212.004
where: short stacking energy: -119.352
Base-Backbone interact. energy: -0.385
local terms energy: -163.695671
where:
bonds (distance) C4'-P energy: -43.500
bonds (distance) P-C4' energy: -46.587
flat angles C4'-P-C4' energy: -33.872
flat angles P-C4'-P energy: -20.756
tors. eta vs tors. theta energy: -18.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -230.564107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.564107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.564107 (E_RNA)
where:
Base-Base interactions energy: -77.824
where: short stacking energy: -69.657
Base-Backbone interact. energy: -0.332
local terms energy: -152.408221
where:
bonds (distance) C4'-P energy: -41.862
bonds (distance) P-C4' energy: -49.484
flat angles C4'-P-C4' energy: -39.695
flat angles P-C4'-P energy: -27.524
tors. eta vs tors. theta energy: 6.156
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: 1, replica: 2
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -941.727420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.727420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.727420 (E_RNA)
where:
Base-Base interactions energy: -659.921
where: short stacking energy: -275.455
Base-Backbone interact. energy: -1.361
local terms energy: -280.445740
where:
bonds (distance) C4'-P energy: -45.735
bonds (distance) P-C4' energy: -55.458
flat angles C4'-P-C4' energy: -53.586
flat angles P-C4'-P energy: -44.591
tors. eta vs tors. theta energy: -81.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -915.247125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.247125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.247125 (E_RNA)
where:
Base-Base interactions energy: -626.414
where: short stacking energy: -273.888
Base-Backbone interact. energy: -0.146
local terms energy: -288.686563
where:
bonds (distance) C4'-P energy: -44.555
bonds (distance) P-C4' energy: -57.716
flat angles C4'-P-C4' energy: -58.692
flat angles P-C4'-P energy: -45.202
tors. eta vs tors. theta energy: -82.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -903.752846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.752846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.752846 (E_RNA)
where:
Base-Base interactions energy: -617.197
where: short stacking energy: -270.343
Base-Backbone interact. energy: -1.966
local terms energy: -284.589622
where:
bonds (distance) C4'-P energy: -51.192
bonds (distance) P-C4' energy: -53.487
flat angles C4'-P-C4' energy: -61.087
flat angles P-C4'-P energy: -35.026
tors. eta vs tors. theta energy: -83.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -818.357984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.357984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.357984 (E_RNA)
where:
Base-Base interactions energy: -566.629
where: short stacking energy: -235.851
Base-Backbone interact. energy: 0.303
local terms energy: -252.032341
where:
bonds (distance) C4'-P energy: -55.848
bonds (distance) P-C4' energy: -47.928
flat angles C4'-P-C4' energy: -49.536
flat angles P-C4'-P energy: -31.289
tors. eta vs tors. theta energy: -67.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -849.133019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.133019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.133019 (E_RNA)
where:
Base-Base interactions energy: -583.579
where: short stacking energy: -239.534
Base-Backbone interact. energy: -0.944
local terms energy: -264.610553
where:
bonds (distance) C4'-P energy: -57.524
bonds (distance) P-C4' energy: -44.176
flat angles C4'-P-C4' energy: -59.085
flat angles P-C4'-P energy: -38.290
tors. eta vs tors. theta energy: -65.535
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: 5
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -753.858365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.858365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.858365 (E_RNA)
where:
Base-Base interactions energy: -513.781
where: short stacking energy: -219.841
Base-Backbone interact. energy: 0.445
local terms energy: -240.522283
where:
bonds (distance) C4'-P energy: -50.862
bonds (distance) P-C4' energy: -45.999
flat angles C4'-P-C4' energy: -52.146
flat angles P-C4'-P energy: -34.718
tors. eta vs tors. theta energy: -56.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -740.322700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.322700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.322700 (E_RNA)
where:
Base-Base interactions energy: -513.075
where: short stacking energy: -225.398
Base-Backbone interact. energy: -0.347
local terms energy: -226.900554
where:
bonds (distance) C4'-P energy: -44.330
bonds (distance) P-C4' energy: -36.510
flat angles C4'-P-C4' energy: -44.643
flat angles P-C4'-P energy: -40.664
tors. eta vs tors. theta energy: -60.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -681.922107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.922107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.922107 (E_RNA)
where:
Base-Base interactions energy: -470.427
where: short stacking energy: -188.521
Base-Backbone interact. energy: -0.912
local terms energy: -210.583325
where:
bonds (distance) C4'-P energy: -42.298
bonds (distance) P-C4' energy: -43.003
flat angles C4'-P-C4' energy: -51.339
flat angles P-C4'-P energy: -24.344
tors. eta vs tors. theta energy: -49.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -379.310656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.310656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.310656 (E_RNA)
where:
Base-Base interactions energy: -204.387
where: short stacking energy: -99.604
Base-Backbone interact. energy: 1.863
local terms energy: -176.786842
where:
bonds (distance) C4'-P energy: -51.443
bonds (distance) P-C4' energy: -47.271
flat angles C4'-P-C4' energy: -38.664
flat angles P-C4'-P energy: -21.636
tors. eta vs tors. theta energy: -17.773
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: 6
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -222.837821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.837821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.837821 (E_RNA)
where:
Base-Base interactions energy: -69.171
where: short stacking energy: -60.479
Base-Backbone interact. energy: -1.450
local terms energy: -152.216610
where:
bonds (distance) C4'-P energy: -40.880
bonds (distance) P-C4' energy: -39.857
flat angles C4'-P-C4' energy: -34.547
flat angles P-C4'-P energy: -31.008
tors. eta vs tors. theta energy: -5.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -941.233018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.233018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.233018 (E_RNA)
where:
Base-Base interactions energy: -653.758
where: short stacking energy: -264.264
Base-Backbone interact. energy: -0.445
local terms energy: -287.029876
where:
bonds (distance) C4'-P energy: -57.830
bonds (distance) P-C4' energy: -50.421
flat angles C4'-P-C4' energy: -63.481
flat angles P-C4'-P energy: -41.272
tors. eta vs tors. theta energy: -74.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -913.145995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.145995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.145995 (E_RNA)
where:
Base-Base interactions energy: -624.529
where: short stacking energy: -261.879
Base-Backbone interact. energy: -0.948
local terms energy: -287.669429
where:
bonds (distance) C4'-P energy: -48.441
bonds (distance) P-C4' energy: -57.115
flat angles C4'-P-C4' energy: -58.104
flat angles P-C4'-P energy: -37.692
tors. eta vs tors. theta energy: -86.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -899.710440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.710440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.710440 (E_RNA)
where:
Base-Base interactions energy: -626.415
where: short stacking energy: -280.082
Base-Backbone interact. energy: -0.996
local terms energy: -272.299586
where:
bonds (distance) C4'-P energy: -48.579
bonds (distance) P-C4' energy: -44.320
flat angles C4'-P-C4' energy: -57.418
flat angles P-C4'-P energy: -39.652
tors. eta vs tors. theta energy: -82.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -852.735899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.735899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.735899 (E_RNA)
where:
Base-Base interactions energy: -588.737
where: short stacking energy: -253.666
Base-Backbone interact. energy: -1.349
local terms energy: -262.649376
where:
bonds (distance) C4'-P energy: -38.666
bonds (distance) P-C4' energy: -53.855
flat angles C4'-P-C4' energy: -52.572
flat angles P-C4'-P energy: -38.138
tors. eta vs tors. theta energy: -79.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -839.356244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.356244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.356244 (E_RNA)
where:
Base-Base interactions energy: -568.728
where: short stacking energy: -232.792
Base-Backbone interact. energy: -0.881
local terms energy: -269.746932
where:
bonds (distance) C4'-P energy: -44.804
bonds (distance) P-C4' energy: -61.541
flat angles C4'-P-C4' energy: -52.982
flat angles P-C4'-P energy: -40.841
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: 7
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -775.427739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.427739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.427739 (E_RNA)
where:
Base-Base interactions energy: -548.574
where: short stacking energy: -238.763
Base-Backbone interact. energy: -0.085
local terms energy: -226.768361
where:
bonds (distance) C4'-P energy: -42.926
bonds (distance) P-C4' energy: -43.452
flat angles C4'-P-C4' energy: -50.396
flat angles P-C4'-P energy: -29.944
tors. eta vs tors. theta energy: -60.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -743.752828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.752828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.752828 (E_RNA)
where:
Base-Base interactions energy: -496.968
where: short stacking energy: -199.349
Base-Backbone interact. energy: -0.626
local terms energy: -246.158771
where:
bonds (distance) C4'-P energy: -44.931
bonds (distance) P-C4' energy: -52.016
flat angles C4'-P-C4' energy: -57.839
flat angles P-C4'-P energy: -42.018
tors. eta vs tors. theta energy: -49.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -686.523148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.523148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.523148 (E_RNA)
where:
Base-Base interactions energy: -477.431
where: short stacking energy: -198.636
Base-Backbone interact. energy: -0.242
local terms energy: -208.850409
where:
bonds (distance) C4'-P energy: -45.176
bonds (distance) P-C4' energy: -35.906
flat angles C4'-P-C4' energy: -38.268
flat angles P-C4'-P energy: -37.009
tors. eta vs tors. theta energy: -52.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -349.375610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.375610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.375610 (E_RNA)
where:
Base-Base interactions energy: -182.163
where: short stacking energy: -92.954
Base-Backbone interact. energy: -1.456
local terms energy: -165.756572
where:
bonds (distance) C4'-P energy: -41.824
bonds (distance) P-C4' energy: -49.862
flat angles C4'-P-C4' energy: -38.101
flat angles P-C4'-P energy: -22.050
tors. eta vs tors. theta energy: -13.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -241.126585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.126585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.126585 (E_RNA)
where:
Base-Base interactions energy: -97.590
where: short stacking energy: -94.378
Base-Backbone interact. energy: -0.974
local terms energy: -142.562329
where:
bonds (distance) C4'-P energy: -42.010
bonds (distance) P-C4' energy: -37.212
flat angles C4'-P-C4' energy: -31.805
flat angles P-C4'-P energy: -20.593
tors. eta vs tors. theta energy: -10.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -950.086776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.086776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.086776 (E_RNA)
where:
Base-Base interactions energy: -662.545
where: short stacking energy: -283.298
Base-Backbone interact. energy: 0.063
local terms energy: -287.605311
where:
bonds (distance) C4'-P energy: -53.204
bonds (distance) P-C4' energy: -54.318
flat angles C4'-P-C4' energy: -59.743
flat angles P-C4'-P energy: -44.083
tors. eta vs tors. theta energy: -76.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -913.127280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.127280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.127280 (E_RNA)
where:
Base-Base interactions energy: -635.360
where: short stacking energy: -259.728
Base-Backbone interact. energy: 1.040
local terms energy: -278.806791
where:
bonds (distance) C4'-P energy: -53.029
bonds (distance) P-C4' energy: -50.297
flat angles C4'-P-C4' energy: -53.858
flat angles P-C4'-P energy: -43.868
tors. eta vs tors. theta energy: -77.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -895.545011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.545011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.545011 (E_RNA)
where:
Base-Base interactions energy: -606.682
where: short stacking energy: -266.371
Base-Backbone interact. energy: -0.295
local terms energy: -288.567857
where:
bonds (distance) C4'-P energy: -47.622
bonds (distance) P-C4' energy: -49.685
flat angles C4'-P-C4' energy: -61.777
flat angles P-C4'-P energy: -50.134
tors. eta vs tors. theta energy: -79.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -863.715212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.715212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.715212 (E_RNA)
where:
Base-Base interactions energy: -589.472
where: short stacking energy: -254.043
Base-Backbone interact. energy: -1.621
local terms energy: -272.621972
where:
bonds (distance) C4'-P energy: -41.473
bonds (distance) P-C4' energy: -50.088
flat angles C4'-P-C4' energy: -66.970
flat angles P-C4'-P energy: -41.327
tors. eta vs tors. theta energy: -72.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -825.853761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.853761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.853761 (E_RNA)
where:
Base-Base interactions energy: -582.951
where: short stacking energy: -240.588
Base-Backbone interact. energy: -1.063
local terms energy: -241.839690
where:
bonds (distance) C4'-P energy: -39.400
bonds (distance) P-C4' energy: -46.771
flat angles C4'-P-C4' energy: -54.578
flat angles P-C4'-P energy: -28.790
tors. eta vs tors. theta energy: -72.301
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: 7
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -734.446595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.446595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.446595 (E_RNA)
where:
Base-Base interactions energy: -497.273
where: short stacking energy: -201.159
Base-Backbone interact. energy: -0.536
local terms energy: -236.637444
where:
bonds (distance) C4'-P energy: -36.907
bonds (distance) P-C4' energy: -51.646
flat angles C4'-P-C4' energy: -50.743
flat angles P-C4'-P energy: -38.296
tors. eta vs tors. theta energy: -59.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -725.340085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.340085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.340085 (E_RNA)
where:
Base-Base interactions energy: -491.013
where: short stacking energy: -195.148
Base-Backbone interact. energy: -0.921
local terms energy: -233.406917
where:
bonds (distance) C4'-P energy: -45.212
bonds (distance) P-C4' energy: -45.035
flat angles C4'-P-C4' energy: -54.888
flat angles P-C4'-P energy: -33.924
tors. eta vs tors. theta energy: -54.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -708.149256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.149256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.149256 (E_RNA)
where:
Base-Base interactions energy: -489.713
where: short stacking energy: -199.185
Base-Backbone interact. energy: 2.010
local terms energy: -220.446500
where:
bonds (distance) C4'-P energy: -33.646
bonds (distance) P-C4' energy: -51.966
flat angles C4'-P-C4' energy: -53.283
flat angles P-C4'-P energy: -24.482
tors. eta vs tors. theta energy: -57.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -334.064641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.064641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.064641 (E_RNA)
where:
Base-Base interactions energy: -170.711
where: short stacking energy: -96.515
Base-Backbone interact. energy: -0.008
local terms energy: -163.345700
where:
bonds (distance) C4'-P energy: -47.427
bonds (distance) P-C4' energy: -49.273
flat angles C4'-P-C4' energy: -28.098
flat angles P-C4'-P energy: -22.638
tors. eta vs tors. theta energy: -15.909
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: 10, replica: 6
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -246.490320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.490320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.490320 (E_RNA)
where:
Base-Base interactions energy: -92.494
where: short stacking energy: -79.763
Base-Backbone interact. energy: 0.650
local terms energy: -154.645932
where:
bonds (distance) C4'-P energy: -40.238
bonds (distance) P-C4' energy: -48.613
flat angles C4'-P-C4' energy: -44.492
flat angles P-C4'-P energy: -29.902
tors. eta vs tors. theta energy: 8.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -948.764048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.764048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.764048 (E_RNA)
where:
Base-Base interactions energy: -653.043
where: short stacking energy: -274.530
Base-Backbone interact. energy: 0.650
local terms energy: -296.370322
where:
bonds (distance) C4'-P energy: -48.616
bonds (distance) P-C4' energy: -52.522
flat angles C4'-P-C4' energy: -61.930
flat angles P-C4'-P energy: -46.678
tors. eta vs tors. theta energy: -86.624
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: 285
Temperature: 0.950000
Total energy: -934.398725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.398725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.398725 (E_RNA)
where:
Base-Base interactions energy: -654.312
where: short stacking energy: -273.839
Base-Backbone interact. energy: -1.371
local terms energy: -278.715069
where:
bonds (distance) C4'-P energy: -57.948
bonds (distance) P-C4' energy: -51.315
flat angles C4'-P-C4' energy: -53.225
flat angles P-C4'-P energy: -32.938
tors. eta vs tors. theta energy: -83.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -887.641427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.641427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.641427 (E_RNA)
where:
Base-Base interactions energy: -617.926
where: short stacking energy: -275.524
Base-Backbone interact. energy: -0.667
local terms energy: -269.048458
where:
bonds (distance) C4'-P energy: -48.091
bonds (distance) P-C4' energy: -44.294
flat angles C4'-P-C4' energy: -58.566
flat angles P-C4'-P energy: -37.998
tors. eta vs tors. theta energy: -80.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -861.825349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.825349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.825349 (E_RNA)
where:
Base-Base interactions energy: -598.555
where: short stacking energy: -253.491
Base-Backbone interact. energy: -1.342
local terms energy: -261.928324
where:
bonds (distance) C4'-P energy: -43.089
bonds (distance) P-C4' energy: -46.418
flat angles C4'-P-C4' energy: -53.699
flat angles P-C4'-P energy: -42.507
tors. eta vs tors. theta energy: -76.216
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: 8
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -853.093132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.093132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.093132 (E_RNA)
where:
Base-Base interactions energy: -592.392
where: short stacking energy: -251.990
Base-Backbone interact. energy: -0.234
local terms energy: -260.466669
where:
bonds (distance) C4'-P energy: -44.904
bonds (distance) P-C4' energy: -50.006
flat angles C4'-P-C4' energy: -52.560
flat angles P-C4'-P energy: -36.992
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: 6, replica: 3
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -743.962267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.962267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.962267 (E_RNA)
where:
Base-Base interactions energy: -491.403
where: short stacking energy: -207.867
Base-Backbone interact. energy: -1.487
local terms energy: -251.073158
where:
bonds (distance) C4'-P energy: -52.169
bonds (distance) P-C4' energy: -46.201
flat angles C4'-P-C4' energy: -57.664
flat angles P-C4'-P energy: -36.285
tors. eta vs tors. theta energy: -58.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -663.411465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.411465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.411465 (E_RNA)
where:
Base-Base interactions energy: -449.118
where: short stacking energy: -189.622
Base-Backbone interact. energy: -0.085
local terms energy: -214.208828
where:
bonds (distance) C4'-P energy: -44.090
bonds (distance) P-C4' energy: -46.485
flat angles C4'-P-C4' energy: -50.584
flat angles P-C4'-P energy: -27.278
tors. eta vs tors. theta energy: -45.773
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: 8, replica: 5
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -692.514690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.514690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.514690 (E_RNA)
where:
Base-Base interactions energy: -451.870
where: short stacking energy: -201.932
Base-Backbone interact. energy: -0.475
local terms energy: -240.169601
where:
bonds (distance) C4'-P energy: -45.630
bonds (distance) P-C4' energy: -50.323
flat angles C4'-P-C4' energy: -51.289
flat angles P-C4'-P energy: -29.327
tors. eta vs tors. theta energy: -63.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -442.897033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.897033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.897033 (E_RNA)
where:
Base-Base interactions energy: -273.354
where: short stacking energy: -116.833
Base-Backbone interact. energy: 0.047
local terms energy: -169.589960
where:
bonds (distance) C4'-P energy: -34.334
bonds (distance) P-C4' energy: -46.593
flat angles C4'-P-C4' energy: -46.236
flat angles P-C4'-P energy: -29.875
tors. eta vs tors. theta energy: -12.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -250.679743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.679743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.679743 (E_RNA)
where:
Base-Base interactions energy: -93.284
where: short stacking energy: -64.468
Base-Backbone interact. energy: 0.402
local terms energy: -157.797211
where:
bonds (distance) C4'-P energy: -43.184
bonds (distance) P-C4' energy: -47.283
flat angles C4'-P-C4' energy: -44.149
flat angles P-C4'-P energy: -23.880
tors. eta vs tors. theta energy: 0.700
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: 2
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -942.603507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.603507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.603507 (E_RNA)
where:
Base-Base interactions energy: -646.895
where: short stacking energy: -268.705
Base-Backbone interact. energy: -1.250
local terms energy: -294.457580
where:
bonds (distance) C4'-P energy: -52.975
bonds (distance) P-C4' energy: -56.188
flat angles C4'-P-C4' energy: -59.487
flat angles P-C4'-P energy: -42.589
tors. eta vs tors. theta energy: -83.218
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: 1
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -930.929209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.929209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.929209 (E_RNA)
where:
Base-Base interactions energy: -654.004
where: short stacking energy: -269.020
Base-Backbone interact. energy: -1.183
local terms energy: -275.742538
where:
bonds (distance) C4'-P energy: -53.084
bonds (distance) P-C4' energy: -52.139
flat angles C4'-P-C4' energy: -53.790
flat angles P-C4'-P energy: -37.355
tors. eta vs tors. theta energy: -79.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -883.603902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.603902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.603902 (E_RNA)
where:
Base-Base interactions energy: -619.044
where: short stacking energy: -275.558
Base-Backbone interact. energy: -0.009
local terms energy: -264.550235
where:
bonds (distance) C4'-P energy: -44.806
bonds (distance) P-C4' energy: -49.686
flat angles C4'-P-C4' energy: -57.512
flat angles P-C4'-P energy: -36.676
tors. eta vs tors. theta energy: -75.869
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: 4
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -865.257098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.257098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.257098 (E_RNA)
where:
Base-Base interactions energy: -615.166
where: short stacking energy: -251.934
Base-Backbone interact. energy: 0.169
local terms energy: -250.260584
where:
bonds (distance) C4'-P energy: -32.949
bonds (distance) P-C4' energy: -42.910
flat angles C4'-P-C4' energy: -60.765
flat angles P-C4'-P energy: -36.590
tors. eta vs tors. theta energy: -77.047
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: 8
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -827.453710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.453710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.453710 (E_RNA)
where:
Base-Base interactions energy: -558.471
where: short stacking energy: -228.958
Base-Backbone interact. energy: -2.201
local terms energy: -266.781717
where:
bonds (distance) C4'-P energy: -41.172
bonds (distance) P-C4' energy: -54.448
flat angles C4'-P-C4' energy: -57.506
flat angles P-C4'-P energy: -42.911
tors. eta vs tors. theta energy: -70.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -786.197608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.197608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.197608 (E_RNA)
where:
Base-Base interactions energy: -539.017
where: short stacking energy: -231.471
Base-Backbone interact. energy: -0.843
local terms energy: -246.337685
where:
bonds (distance) C4'-P energy: -45.319
bonds (distance) P-C4' energy: -46.174
flat angles C4'-P-C4' energy: -55.467
flat angles P-C4'-P energy: -38.579
tors. eta vs tors. theta energy: -60.798
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: 7, replica: 5
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -717.347572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.347572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.347572 (E_RNA)
where:
Base-Base interactions energy: -488.858
where: short stacking energy: -206.264
Base-Backbone interact. energy: -0.746
local terms energy: -227.744023
where:
bonds (distance) C4'-P energy: -39.609
bonds (distance) P-C4' energy: -47.378
flat angles C4'-P-C4' energy: -54.407
flat angles P-C4'-P energy: -34.693
tors. eta vs tors. theta energy: -51.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -640.798988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.798988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.798988 (E_RNA)
where:
Base-Base interactions energy: -436.420
where: short stacking energy: -175.568
Base-Backbone interact. energy: -0.849
local terms energy: -203.529349
where:
bonds (distance) C4'-P energy: -36.412
bonds (distance) P-C4' energy: -52.470
flat angles C4'-P-C4' energy: -55.186
flat angles P-C4'-P energy: -23.355
tors. eta vs tors. theta energy: -36.106
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: 286
Temperature: 1.300000
Total energy: -503.123252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.123252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.123252 (E_RNA)
where:
Base-Base interactions energy: -317.880
where: short stacking energy: -153.552
Base-Backbone interact. energy: -0.688
local terms energy: -184.555674
where:
bonds (distance) C4'-P energy: -40.339
bonds (distance) P-C4' energy: -44.746
flat angles C4'-P-C4' energy: -42.076
flat angles P-C4'-P energy: -26.994
tors. eta vs tors. theta energy: -30.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -275.730656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.730656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.730656 (E_RNA)
where:
Base-Base interactions energy: -133.377
where: short stacking energy: -72.170
Base-Backbone interact. energy: -0.581
local terms energy: -141.772856
where:
bonds (distance) C4'-P energy: -36.280
bonds (distance) P-C4' energy: -41.884
flat angles C4'-P-C4' energy: -47.063
flat angles P-C4'-P energy: -21.209
tors. eta vs tors. theta energy: 4.664
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: 2
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -956.773824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.773824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.773824 (E_RNA)
where:
Base-Base interactions energy: -657.265
where: short stacking energy: -271.580
Base-Backbone interact. energy: -1.334
local terms energy: -298.174753
where:
bonds (distance) C4'-P energy: -47.480
bonds (distance) P-C4' energy: -60.277
flat angles C4'-P-C4' energy: -61.083
flat angles P-C4'-P energy: -46.438
tors. eta vs tors. theta energy: -82.897
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: 2, replica: 1
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -927.794891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.794891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.794891 (E_RNA)
where:
Base-Base interactions energy: -638.209
where: short stacking energy: -277.627
Base-Backbone interact. energy: -1.602
local terms energy: -287.983655
where:
bonds (distance) C4'-P energy: -52.260
bonds (distance) P-C4' energy: -55.457
flat angles C4'-P-C4' energy: -53.127
flat angles P-C4'-P energy: -43.438
tors. eta vs tors. theta energy: -83.701
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: 10
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -884.106843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.106843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.106843 (E_RNA)
where:
Base-Base interactions energy: -610.862
where: short stacking energy: -268.558
Base-Backbone interact. energy: -0.233
local terms energy: -273.011758
where:
bonds (distance) C4'-P energy: -53.893
bonds (distance) P-C4' energy: -50.962
flat angles C4'-P-C4' energy: -51.254
flat angles P-C4'-P energy: -39.751
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: 4, replica: 4
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -855.800041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.800041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.800041 (E_RNA)
where:
Base-Base interactions energy: -586.557
where: short stacking energy: -243.256
Base-Backbone interact. energy: -1.867
local terms energy: -267.376303
where:
bonds (distance) C4'-P energy: -50.788
bonds (distance) P-C4' energy: -57.304
flat angles C4'-P-C4' energy: -56.202
flat angles P-C4'-P energy: -33.925
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: 5, replica: 8
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -831.982730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.982730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.982730 (E_RNA)
where:
Base-Base interactions energy: -569.362
where: short stacking energy: -241.884
Base-Backbone interact. energy: -1.109
local terms energy: -261.511344
where:
bonds (distance) C4'-P energy: -38.546
bonds (distance) P-C4' energy: -49.961
flat angles C4'-P-C4' energy: -59.442
flat angles P-C4'-P energy: -36.874
tors. eta vs tors. theta energy: -76.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -782.836772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.836772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.836772 (E_RNA)
where:
Base-Base interactions energy: -550.644
where: short stacking energy: -205.338
Base-Backbone interact. energy: 1.569
local terms energy: -233.761898
where:
bonds (distance) C4'-P energy: -52.212
bonds (distance) P-C4' energy: -36.090
flat angles C4'-P-C4' energy: -55.349
flat angles P-C4'-P energy: -26.504
tors. eta vs tors. theta energy: -63.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -711.649264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.649264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.649264 (E_RNA)
where:
Base-Base interactions energy: -482.063
where: short stacking energy: -180.940
Base-Backbone interact. energy: -0.266
local terms energy: -229.320609
where:
bonds (distance) C4'-P energy: -40.774
bonds (distance) P-C4' energy: -50.776
flat angles C4'-P-C4' energy: -43.396
flat angles P-C4'-P energy: -36.777
tors. eta vs tors. theta energy: -57.598
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: 7
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -660.984409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.984409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.984409 (E_RNA)
where:
Base-Base interactions energy: -444.782
where: short stacking energy: -176.959
Base-Backbone interact. energy: -0.924
local terms energy: -215.278211
where:
bonds (distance) C4'-P energy: -35.661
bonds (distance) P-C4' energy: -42.236
flat angles C4'-P-C4' energy: -53.095
flat angles P-C4'-P energy: -37.871
tors. eta vs tors. theta energy: -46.415
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: 9
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -506.495894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.495894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.495894 (E_RNA)
where:
Base-Base interactions energy: -311.551
where: short stacking energy: -146.935
Base-Backbone interact. energy: 0.906
local terms energy: -195.851451
where:
bonds (distance) C4'-P energy: -48.485
bonds (distance) P-C4' energy: -45.691
flat angles C4'-P-C4' energy: -52.157
flat angles P-C4'-P energy: -25.341
tors. eta vs tors. theta energy: -24.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -303.794068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.794068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.794068 (E_RNA)
where:
Base-Base interactions energy: -148.885
where: short stacking energy: -88.099
Base-Backbone interact. energy: 0.779
local terms energy: -155.688426
where:
bonds (distance) C4'-P energy: -41.940
bonds (distance) P-C4' energy: -44.866
flat angles C4'-P-C4' energy: -44.806
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -4.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -943.010991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.010991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.010991 (E_RNA)
where:
Base-Base interactions energy: -638.593
where: short stacking energy: -269.291
Base-Backbone interact. energy: -1.794
local terms energy: -302.623801
where:
bonds (distance) C4'-P energy: -52.888
bonds (distance) P-C4' energy: -56.847
flat angles C4'-P-C4' energy: -67.102
flat angles P-C4'-P energy: -41.436
tors. eta vs tors. theta energy: -84.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -938.226384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.226384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.226384 (E_RNA)
where:
Base-Base interactions energy: -652.313
where: short stacking energy: -263.778
Base-Backbone interact. energy: -0.899
local terms energy: -285.014827
where:
bonds (distance) C4'-P energy: -55.147
bonds (distance) P-C4' energy: -51.730
flat angles C4'-P-C4' energy: -59.673
flat angles P-C4'-P energy: -42.876
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: 10
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -873.650208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.650208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.650208 (E_RNA)
where:
Base-Base interactions energy: -601.262
where: short stacking energy: -271.805
Base-Backbone interact. energy: -0.990
local terms energy: -271.398070
where:
bonds (distance) C4'-P energy: -55.682
bonds (distance) P-C4' energy: -44.689
flat angles C4'-P-C4' energy: -51.931
flat angles P-C4'-P energy: -41.230
tors. eta vs tors. theta energy: -77.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -837.580227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.580227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.580227 (E_RNA)
where:
Base-Base interactions energy: -581.244
where: short stacking energy: -239.819
Base-Backbone interact. energy: -1.416
local terms energy: -254.920314
where:
bonds (distance) C4'-P energy: -52.322
bonds (distance) P-C4' energy: -45.548
flat angles C4'-P-C4' energy: -52.284
flat angles P-C4'-P energy: -36.268
tors. eta vs tors. theta energy: -68.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -816.704056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.704056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.704056 (E_RNA)
where:
Base-Base interactions energy: -557.340
where: short stacking energy: -234.005
Base-Backbone interact. energy: -0.212
local terms energy: -259.152540
where:
bonds (distance) C4'-P energy: -35.965
bonds (distance) P-C4' energy: -52.674
flat angles C4'-P-C4' energy: -59.699
flat angles P-C4'-P energy: -37.986
tors. eta vs tors. theta energy: -72.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -796.987660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.987660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.987660 (E_RNA)
where:
Base-Base interactions energy: -555.452
where: short stacking energy: -226.150
Base-Backbone interact. energy: -0.074
local terms energy: -241.461941
where:
bonds (distance) C4'-P energy: -48.368
bonds (distance) P-C4' energy: -32.808
flat angles C4'-P-C4' energy: -51.804
flat angles P-C4'-P energy: -45.229
tors. eta vs tors. theta energy: -63.252
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: 5
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -734.518734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.518734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.518734 (E_RNA)
where:
Base-Base interactions energy: -510.095
where: short stacking energy: -201.932
Base-Backbone interact. energy: -0.031
local terms energy: -224.392790
where:
bonds (distance) C4'-P energy: -34.388
bonds (distance) P-C4' energy: -52.213
flat angles C4'-P-C4' energy: -47.587
flat angles P-C4'-P energy: -30.104
tors. eta vs tors. theta energy: -60.101
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: 288
Temperature: 1.250000
Total energy: -669.685571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.685571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.685571 (E_RNA)
where:
Base-Base interactions energy: -451.941
where: short stacking energy: -193.226
Base-Backbone interact. energy: -0.341
local terms energy: -217.404309
where:
bonds (distance) C4'-P energy: -41.211
bonds (distance) P-C4' energy: -47.926
flat angles C4'-P-C4' energy: -41.473
flat angles P-C4'-P energy: -32.732
tors. eta vs tors. theta energy: -54.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -506.577134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.577134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.577134 (E_RNA)
where:
Base-Base interactions energy: -311.574
where: short stacking energy: -150.921
Base-Backbone interact. energy: -0.573
local terms energy: -194.429333
where:
bonds (distance) C4'-P energy: -48.543
bonds (distance) P-C4' energy: -44.584
flat angles C4'-P-C4' energy: -36.838
flat angles P-C4'-P energy: -30.111
tors. eta vs tors. theta energy: -34.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -304.870531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.870531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.870531 (E_RNA)
where:
Base-Base interactions energy: -159.053
where: short stacking energy: -75.528
Base-Backbone interact. energy: 0.881
local terms energy: -146.698895
where:
bonds (distance) C4'-P energy: -45.162
bonds (distance) P-C4' energy: -48.857
flat angles C4'-P-C4' energy: -34.495
flat angles P-C4'-P energy: -16.434
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: 1, replica: 1
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -958.967040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.967040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.967040 (E_RNA)
where:
Base-Base interactions energy: -653.244
where: short stacking energy: -275.826
Base-Backbone interact. energy: -1.533
local terms energy: -304.189751
where:
bonds (distance) C4'-P energy: -63.064
bonds (distance) P-C4' energy: -51.733
flat angles C4'-P-C4' energy: -64.331
flat angles P-C4'-P energy: -39.026
tors. eta vs tors. theta energy: -86.035
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: 2, replica: 2
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -929.841846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.841846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.841846 (E_RNA)
where:
Base-Base interactions energy: -636.763
where: short stacking energy: -270.820
Base-Backbone interact. energy: 0.043
local terms energy: -293.122378
where:
bonds (distance) C4'-P energy: -58.247
bonds (distance) P-C4' energy: -57.850
flat angles C4'-P-C4' energy: -56.640
flat angles P-C4'-P energy: -38.959
tors. eta vs tors. theta energy: -81.426
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: 10
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -865.296752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.296752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.296752 (E_RNA)
where:
Base-Base interactions energy: -601.045
where: short stacking energy: -257.359
Base-Backbone interact. energy: 0.979
local terms energy: -265.230917
where:
bonds (distance) C4'-P energy: -49.546
bonds (distance) P-C4' energy: -49.219
flat angles C4'-P-C4' energy: -57.343
flat angles P-C4'-P energy: -32.592
tors. eta vs tors. theta energy: -76.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -867.981818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.981818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.981818 (E_RNA)
where:
Base-Base interactions energy: -605.448
where: short stacking energy: -264.902
Base-Backbone interact. energy: 0.847
local terms energy: -263.380509
where:
bonds (distance) C4'-P energy: -52.644
bonds (distance) P-C4' energy: -45.110
flat angles C4'-P-C4' energy: -54.362
flat angles P-C4'-P energy: -33.972
tors. eta vs tors. theta energy: -77.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -840.268882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.268882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.268882 (E_RNA)
where:
Base-Base interactions energy: -576.969
where: short stacking energy: -244.313
Base-Backbone interact. energy: 1.427
local terms energy: -264.726514
where:
bonds (distance) C4'-P energy: -50.637
bonds (distance) P-C4' energy: -39.962
flat angles C4'-P-C4' energy: -58.563
flat angles P-C4'-P energy: -40.281
tors. eta vs tors. theta energy: -75.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -715.481543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.481543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.481543 (E_RNA)
where:
Base-Base interactions energy: -480.157
where: short stacking energy: -191.782
Base-Backbone interact. energy: 1.418
local terms energy: -236.742501
where:
bonds (distance) C4'-P energy: -45.654
bonds (distance) P-C4' energy: -47.714
flat angles C4'-P-C4' energy: -48.648
flat angles P-C4'-P energy: -41.350
tors. eta vs tors. theta energy: -53.375
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: 3
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -753.786342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.786342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.786342 (E_RNA)
where:
Base-Base interactions energy: -509.067
where: short stacking energy: -227.230
Base-Backbone interact. energy: -0.752
local terms energy: -243.967262
where:
bonds (distance) C4'-P energy: -44.901
bonds (distance) P-C4' energy: -50.222
flat angles C4'-P-C4' energy: -56.131
flat angles P-C4'-P energy: -30.516
tors. eta vs tors. theta energy: -62.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -683.395553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.395553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.395553 (E_RNA)
where:
Base-Base interactions energy: -472.978
where: short stacking energy: -184.487
Base-Backbone interact. energy: -0.817
local terms energy: -209.601259
where:
bonds (distance) C4'-P energy: -49.476
bonds (distance) P-C4' energy: -44.902
flat angles C4'-P-C4' energy: -43.825
flat angles P-C4'-P energy: -18.192
tors. eta vs tors. theta energy: -53.207
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: 289
Temperature: 1.300000
Total energy: -501.199700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.199700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.199700 (E_RNA)
where:
Base-Base interactions energy: -313.544
where: short stacking energy: -143.057
Base-Backbone interact. energy: -1.940
local terms energy: -185.715539
where:
bonds (distance) C4'-P energy: -34.294
bonds (distance) P-C4' energy: -39.571
flat angles C4'-P-C4' energy: -49.274
flat angles P-C4'-P energy: -34.252
tors. eta vs tors. theta energy: -28.323
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: 10, replica: 6
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -281.747088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.747088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.747088 (E_RNA)
where:
Base-Base interactions energy: -122.989
where: short stacking energy: -85.819
Base-Backbone interact. energy: -3.071
local terms energy: -155.686898
where:
bonds (distance) C4'-P energy: -43.777
bonds (distance) P-C4' energy: -50.482
flat angles C4'-P-C4' energy: -37.746
flat angles P-C4'-P energy: -29.183
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: 1
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -948.927994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.927994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.927994 (E_RNA)
where:
Base-Base interactions energy: -662.139
where: short stacking energy: -295.854
Base-Backbone interact. energy: -0.623
local terms energy: -286.165839
where:
bonds (distance) C4'-P energy: -46.119
bonds (distance) P-C4' energy: -48.713
flat angles C4'-P-C4' energy: -58.968
flat angles P-C4'-P energy: -46.354
tors. eta vs tors. theta energy: -86.011
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: 2
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -925.311529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.311529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.311529 (E_RNA)
where:
Base-Base interactions energy: -632.408
where: short stacking energy: -258.298
Base-Backbone interact. energy: -0.082
local terms energy: -292.821153
where:
bonds (distance) C4'-P energy: -57.771
bonds (distance) P-C4' energy: -52.078
flat angles C4'-P-C4' energy: -60.519
flat angles P-C4'-P energy: -48.374
tors. eta vs tors. theta energy: -74.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -863.786624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.786624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.786624 (E_RNA)
where:
Base-Base interactions energy: -602.093
where: short stacking energy: -248.091
Base-Backbone interact. energy: -0.376
local terms energy: -261.318091
where:
bonds (distance) C4'-P energy: -50.486
bonds (distance) P-C4' energy: -50.239
flat angles C4'-P-C4' energy: -53.055
flat angles P-C4'-P energy: -40.099
tors. eta vs tors. theta energy: -67.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -837.070172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.070172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.070172 (E_RNA)
where:
Base-Base interactions energy: -567.073
where: short stacking energy: -259.029
Base-Backbone interact. energy: -1.280
local terms energy: -268.717043
where:
bonds (distance) C4'-P energy: -54.871
bonds (distance) P-C4' energy: -44.011
flat angles C4'-P-C4' energy: -60.523
flat angles P-C4'-P energy: -37.926
tors. eta vs tors. theta energy: -71.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -821.910188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.910188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.910188 (E_RNA)
where:
Base-Base interactions energy: -577.783
where: short stacking energy: -250.038
Base-Backbone interact. energy: -0.379
local terms energy: -243.748290
where:
bonds (distance) C4'-P energy: -49.139
bonds (distance) P-C4' energy: -53.470
flat angles C4'-P-C4' energy: -47.071
flat angles P-C4'-P energy: -23.794
tors. eta vs tors. theta energy: -70.274
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: 6, replica: 5
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -750.231349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.231349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.231349 (E_RNA)
where:
Base-Base interactions energy: -507.745
where: short stacking energy: -208.407
Base-Backbone interact. energy: 0.491
local terms energy: -242.977839
where:
bonds (distance) C4'-P energy: -51.748
bonds (distance) P-C4' energy: -43.939
flat angles C4'-P-C4' energy: -50.082
flat angles P-C4'-P energy: -40.380
tors. eta vs tors. theta energy: -56.829
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: 3
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -715.850190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.850190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.850190 (E_RNA)
where:
Base-Base interactions energy: -484.595
where: short stacking energy: -201.036
Base-Backbone interact. energy: -0.004
local terms energy: -231.250791
where:
bonds (distance) C4'-P energy: -45.338
bonds (distance) P-C4' energy: -46.687
flat angles C4'-P-C4' energy: -50.533
flat angles P-C4'-P energy: -31.034
tors. eta vs tors. theta energy: -57.659
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: 7
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -613.478797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.478797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.478797 (E_RNA)
where:
Base-Base interactions energy: -404.574
where: short stacking energy: -185.026
Base-Backbone interact. energy: -1.032
local terms energy: -207.873541
where:
bonds (distance) C4'-P energy: -43.137
bonds (distance) P-C4' energy: -53.225
flat angles C4'-P-C4' energy: -39.141
flat angles P-C4'-P energy: -22.232
tors. eta vs tors. theta energy: -50.139
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: 9
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -516.704858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.704858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.704858 (E_RNA)
where:
Base-Base interactions energy: -316.183
where: short stacking energy: -133.265
Base-Backbone interact. energy: -0.938
local terms energy: -199.584145
where:
bonds (distance) C4'-P energy: -46.352
bonds (distance) P-C4' energy: -51.736
flat angles C4'-P-C4' energy: -48.514
flat angles P-C4'-P energy: -31.438
tors. eta vs tors. theta energy: -21.545
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: 10, replica: 6
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -267.366281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.366281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.366281 (E_RNA)
where:
Base-Base interactions energy: -125.818
where: short stacking energy: -80.630
Base-Backbone interact. energy: -1.046
local terms energy: -140.503085
where:
bonds (distance) C4'-P energy: -50.126
bonds (distance) P-C4' energy: -42.148
flat angles C4'-P-C4' energy: -31.070
flat angles P-C4'-P energy: -27.859
tors. eta vs tors. theta energy: 10.699
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: 1
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -957.527293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.527293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.527293 (E_RNA)
where:
Base-Base interactions energy: -657.083
where: short stacking energy: -291.734
Base-Backbone interact. energy: -0.418
local terms energy: -300.026985
where:
bonds (distance) C4'-P energy: -47.495
bonds (distance) P-C4' energy: -58.082
flat angles C4'-P-C4' energy: -64.394
flat angles P-C4'-P energy: -43.417
tors. eta vs tors. theta energy: -86.639
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: 291
Temperature: 0.950000
Total energy: -932.350672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.350672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.350672 (E_RNA)
where:
Base-Base interactions energy: -645.530
where: short stacking energy: -262.388
Base-Backbone interact. energy: -1.783
local terms energy: -285.037494
where:
bonds (distance) C4'-P energy: -54.498
bonds (distance) P-C4' energy: -48.559
flat angles C4'-P-C4' energy: -63.363
flat angles P-C4'-P energy: -40.232
tors. eta vs tors. theta energy: -78.385
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: 10
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -856.438701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.438701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.438701 (E_RNA)
where:
Base-Base interactions energy: -589.313
where: short stacking energy: -243.967
Base-Backbone interact. energy: -0.437
local terms energy: -266.688474
where:
bonds (distance) C4'-P energy: -52.229
bonds (distance) P-C4' energy: -51.783
flat angles C4'-P-C4' energy: -58.157
flat angles P-C4'-P energy: -38.430
tors. eta vs tors. theta energy: -66.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -850.640235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.640235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.640235 (E_RNA)
where:
Base-Base interactions energy: -589.150
where: short stacking energy: -238.027
Base-Backbone interact. energy: -1.059
local terms energy: -260.430903
where:
bonds (distance) C4'-P energy: -47.794
bonds (distance) P-C4' energy: -51.937
flat angles C4'-P-C4' energy: -59.254
flat angles P-C4'-P energy: -28.778
tors. eta vs tors. theta energy: -72.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -831.504137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.504137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.504137 (E_RNA)
where:
Base-Base interactions energy: -578.264
where: short stacking energy: -254.435
Base-Backbone interact. energy: -0.427
local terms energy: -252.812445
where:
bonds (distance) C4'-P energy: -42.101
bonds (distance) P-C4' energy: -48.665
flat angles C4'-P-C4' energy: -55.409
flat angles P-C4'-P energy: -37.245
tors. eta vs tors. theta energy: -69.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -738.425774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.425774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.425774 (E_RNA)
where:
Base-Base interactions energy: -495.760
where: short stacking energy: -204.074
Base-Backbone interact. energy: -0.706
local terms energy: -241.960244
where:
bonds (distance) C4'-P energy: -49.081
bonds (distance) P-C4' energy: -51.338
flat angles C4'-P-C4' energy: -48.914
flat angles P-C4'-P energy: -32.868
tors. eta vs tors. theta energy: -59.759
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: 3
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -744.079951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.079951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.079951 (E_RNA)
where:
Base-Base interactions energy: -492.756
where: short stacking energy: -206.898
Base-Backbone interact. energy: -0.558
local terms energy: -250.766345
where:
bonds (distance) C4'-P energy: -48.879
bonds (distance) P-C4' energy: -51.892
flat angles C4'-P-C4' energy: -51.823
flat angles P-C4'-P energy: -33.798
tors. eta vs tors. theta energy: -64.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -635.887878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.887878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.887878 (E_RNA)
where:
Base-Base interactions energy: -440.268
where: short stacking energy: -171.324
Base-Backbone interact. energy: -2.077
local terms energy: -193.543718
where:
bonds (distance) C4'-P energy: -41.606
bonds (distance) P-C4' energy: -44.396
flat angles C4'-P-C4' energy: -40.096
flat angles P-C4'-P energy: -30.771
tors. eta vs tors. theta energy: -36.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -488.049867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.049867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.049867 (E_RNA)
where:
Base-Base interactions energy: -302.021
where: short stacking energy: -144.952
Base-Backbone interact. energy: 1.152
local terms energy: -187.180742
where:
bonds (distance) C4'-P energy: -40.506
bonds (distance) P-C4' energy: -51.049
flat angles C4'-P-C4' energy: -37.523
flat angles P-C4'-P energy: -26.571
tors. eta vs tors. theta energy: -31.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -222.277364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.277364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.277364 (E_RNA)
where:
Base-Base interactions energy: -63.420
where: short stacking energy: -59.981
Base-Backbone interact. energy: -0.908
local terms energy: -157.949873
where:
bonds (distance) C4'-P energy: -54.503
bonds (distance) P-C4' energy: -45.502
flat angles C4'-P-C4' energy: -35.610
flat angles P-C4'-P energy: -20.479
tors. eta vs tors. theta energy: -1.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -956.469047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.469047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.469047 (E_RNA)
where:
Base-Base interactions energy: -654.781
where: short stacking energy: -289.267
Base-Backbone interact. energy: -1.139
local terms energy: -300.548976
where:
bonds (distance) C4'-P energy: -57.024
bonds (distance) P-C4' energy: -57.414
flat angles C4'-P-C4' energy: -57.156
flat angles P-C4'-P energy: -47.734
tors. eta vs tors. theta energy: -81.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -930.883221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.883221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.883221 (E_RNA)
where:
Base-Base interactions energy: -650.164
where: short stacking energy: -278.190
Base-Backbone interact. energy: -0.337
local terms energy: -280.382903
where:
bonds (distance) C4'-P energy: -52.971
bonds (distance) P-C4' energy: -54.192
flat angles C4'-P-C4' energy: -54.361
flat angles P-C4'-P energy: -36.944
tors. eta vs tors. theta energy: -81.915
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: 8
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -875.883511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.883511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.883511 (E_RNA)
where:
Base-Base interactions energy: -603.098
where: short stacking energy: -250.678
Base-Backbone interact. energy: -0.701
local terms energy: -272.083750
where:
bonds (distance) C4'-P energy: -51.713
bonds (distance) P-C4' energy: -58.673
flat angles C4'-P-C4' energy: -56.345
flat angles P-C4'-P energy: -29.584
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: 4, replica: 10
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -837.787048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.787048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.787048 (E_RNA)
where:
Base-Base interactions energy: -590.835
where: short stacking energy: -235.885
Base-Backbone interact. energy: -0.682
local terms energy: -246.269602
where:
bonds (distance) C4'-P energy: -45.064
bonds (distance) P-C4' energy: -55.007
flat angles C4'-P-C4' energy: -48.104
flat angles P-C4'-P energy: -32.970
tors. eta vs tors. theta energy: -65.125
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: 5, replica: 4
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -807.727628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.727628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.727628 (E_RNA)
where:
Base-Base interactions energy: -582.337
where: short stacking energy: -221.818
Base-Backbone interact. energy: -1.901
local terms energy: -223.489229
where:
bonds (distance) C4'-P energy: -45.159
bonds (distance) P-C4' energy: -43.954
flat angles C4'-P-C4' energy: -48.977
flat angles P-C4'-P energy: -24.907
tors. eta vs tors. theta energy: -60.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -728.093589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.093589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.093589 (E_RNA)
where:
Base-Base interactions energy: -511.272
where: short stacking energy: -202.489
Base-Backbone interact. energy: -1.589
local terms energy: -215.232653
where:
bonds (distance) C4'-P energy: -35.173
bonds (distance) P-C4' energy: -49.957
flat angles C4'-P-C4' energy: -51.341
flat angles P-C4'-P energy: -32.089
tors. eta vs tors. theta energy: -46.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -654.179858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.179858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.179858 (E_RNA)
where:
Base-Base interactions energy: -436.808
where: short stacking energy: -190.166
Base-Backbone interact. energy: -1.351
local terms energy: -216.020568
where:
bonds (distance) C4'-P energy: -34.703
bonds (distance) P-C4' energy: -44.940
flat angles C4'-P-C4' energy: -46.376
flat angles P-C4'-P energy: -38.231
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: 3
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -674.806573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.806573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.806573 (E_RNA)
where:
Base-Base interactions energy: -459.492
where: short stacking energy: -184.231
Base-Backbone interact. energy: -0.412
local terms energy: -214.902624
where:
bonds (distance) C4'-P energy: -45.873
bonds (distance) P-C4' energy: -36.133
flat angles C4'-P-C4' energy: -46.554
flat angles P-C4'-P energy: -31.581
tors. eta vs tors. theta energy: -54.761
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: 292
Temperature: 1.300000
Total energy: -504.967054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.967054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.967054 (E_RNA)
where:
Base-Base interactions energy: -325.336
where: short stacking energy: -137.168
Base-Backbone interact. energy: 0.827
local terms energy: -180.458526
where:
bonds (distance) C4'-P energy: -45.421
bonds (distance) P-C4' energy: -46.676
flat angles C4'-P-C4' energy: -39.633
flat angles P-C4'-P energy: -22.854
tors. eta vs tors. theta energy: -25.874
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: 6
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -212.775477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.775477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.775477 (E_RNA)
where:
Base-Base interactions energy: -81.744
where: short stacking energy: -72.003
Base-Backbone interact. energy: -0.380
local terms energy: -130.651303
where:
bonds (distance) C4'-P energy: -38.327
bonds (distance) P-C4' energy: -41.526
flat angles C4'-P-C4' energy: -41.964
flat angles P-C4'-P energy: -13.075
tors. eta vs tors. theta energy: 4.240
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: 1
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -954.632391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.632391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.632391 (E_RNA)
where:
Base-Base interactions energy: -656.863
where: short stacking energy: -296.752
Base-Backbone interact. energy: -1.160
local terms energy: -296.609288
where:
bonds (distance) C4'-P energy: -54.122
bonds (distance) P-C4' energy: -52.321
flat angles C4'-P-C4' energy: -63.901
flat angles P-C4'-P energy: -38.952
tors. eta vs tors. theta energy: -87.314
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: 2
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -935.866632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.866632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.866632 (E_RNA)
where:
Base-Base interactions energy: -657.073
where: short stacking energy: -271.729
Base-Backbone interact. energy: 2.400
local terms energy: -281.193992
where:
bonds (distance) C4'-P energy: -50.382
bonds (distance) P-C4' energy: -56.004
flat angles C4'-P-C4' energy: -59.226
flat angles P-C4'-P energy: -38.699
tors. eta vs tors. theta energy: -76.882
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: 3, replica: 8
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -885.706555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.706555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.706555 (E_RNA)
where:
Base-Base interactions energy: -607.161
where: short stacking energy: -257.361
Base-Backbone interact. energy: -0.874
local terms energy: -277.672460
where:
bonds (distance) C4'-P energy: -49.835
bonds (distance) P-C4' energy: -54.394
flat angles C4'-P-C4' energy: -55.085
flat angles P-C4'-P energy: -36.470
tors. eta vs tors. theta energy: -81.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -857.444893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.444893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.444893 (E_RNA)
where:
Base-Base interactions energy: -578.242
where: short stacking energy: -251.851
Base-Backbone interact. energy: -1.934
local terms energy: -277.268975
where:
bonds (distance) C4'-P energy: -54.238
bonds (distance) P-C4' energy: -42.340
flat angles C4'-P-C4' energy: -60.620
flat angles P-C4'-P energy: -44.843
tors. eta vs tors. theta energy: -75.228
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: 4
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -843.980394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.980394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.980394 (E_RNA)
where:
Base-Base interactions energy: -576.126
where: short stacking energy: -262.528
Base-Backbone interact. energy: 1.605
local terms energy: -269.458779
where:
bonds (distance) C4'-P energy: -54.379
bonds (distance) P-C4' energy: -48.939
flat angles C4'-P-C4' energy: -47.954
flat angles P-C4'-P energy: -44.386
tors. eta vs tors. theta energy: -73.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -666.702089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.702089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.702089 (E_RNA)
where:
Base-Base interactions energy: -441.133
where: short stacking energy: -170.480
Base-Backbone interact. energy: -0.922
local terms energy: -224.647282
where:
bonds (distance) C4'-P energy: -40.038
bonds (distance) P-C4' energy: -52.907
flat angles C4'-P-C4' energy: -48.262
flat angles P-C4'-P energy: -25.085
tors. eta vs tors. theta energy: -58.355
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: 7, replica: 5
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -719.313624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.313624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.313624 (E_RNA)
where:
Base-Base interactions energy: -476.854
where: short stacking energy: -207.992
Base-Backbone interact. energy: -1.383
local terms energy: -241.076219
where:
bonds (distance) C4'-P energy: -52.729
bonds (distance) P-C4' energy: -43.227
flat angles C4'-P-C4' energy: -53.755
flat angles P-C4'-P energy: -38.525
tors. eta vs tors. theta energy: -52.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -697.586783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.586783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.586783 (E_RNA)
where:
Base-Base interactions energy: -474.598
where: short stacking energy: -200.755
Base-Backbone interact. energy: -0.874
local terms energy: -222.114391
where:
bonds (distance) C4'-P energy: -39.051
bonds (distance) P-C4' energy: -50.047
flat angles C4'-P-C4' energy: -48.932
flat angles P-C4'-P energy: -34.517
tors. eta vs tors. theta energy: -49.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -486.209451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.209451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.209451 (E_RNA)
where:
Base-Base interactions energy: -293.517
where: short stacking energy: -139.971
Base-Backbone interact. energy: -0.927
local terms energy: -191.764951
where:
bonds (distance) C4'-P energy: -41.052
bonds (distance) P-C4' energy: -39.649
flat angles C4'-P-C4' energy: -56.289
flat angles P-C4'-P energy: -32.415
tors. eta vs tors. theta energy: -22.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -243.215545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.215545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.215545 (E_RNA)
where:
Base-Base interactions energy: -88.872
where: short stacking energy: -54.849
Base-Backbone interact. energy: 0.450
local terms energy: -154.793811
where:
bonds (distance) C4'-P energy: -45.406
bonds (distance) P-C4' energy: -49.913
flat angles C4'-P-C4' energy: -41.311
flat angles P-C4'-P energy: -16.942
tors. eta vs tors. theta energy: -1.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -959.840292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.840292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.840292 (E_RNA)
where:
Base-Base interactions energy: -674.497
where: short stacking energy: -288.997
Base-Backbone interact. energy: 0.006
local terms energy: -285.348621
where:
bonds (distance) C4'-P energy: -55.559
bonds (distance) P-C4' energy: -49.468
flat angles C4'-P-C4' energy: -58.317
flat angles P-C4'-P energy: -39.787
tors. eta vs tors. theta energy: -82.218
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: 2
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -943.916544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.916544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.916544 (E_RNA)
where:
Base-Base interactions energy: -670.607
where: short stacking energy: -272.106
Base-Backbone interact. energy: -2.286
local terms energy: -271.023266
where:
bonds (distance) C4'-P energy: -52.927
bonds (distance) P-C4' energy: -39.627
flat angles C4'-P-C4' energy: -54.829
flat angles P-C4'-P energy: -44.592
tors. eta vs tors. theta energy: -79.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -861.921370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.921370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.921370 (E_RNA)
where:
Base-Base interactions energy: -583.662
where: short stacking energy: -244.075
Base-Backbone interact. energy: -1.062
local terms energy: -277.197059
where:
bonds (distance) C4'-P energy: -50.841
bonds (distance) P-C4' energy: -51.986
flat angles C4'-P-C4' energy: -58.569
flat angles P-C4'-P energy: -42.349
tors. eta vs tors. theta energy: -73.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -834.133889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.133889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.133889 (E_RNA)
where:
Base-Base interactions energy: -569.516
where: short stacking energy: -253.954
Base-Backbone interact. energy: -0.431
local terms energy: -264.187379
where:
bonds (distance) C4'-P energy: -42.234
bonds (distance) P-C4' energy: -45.280
flat angles C4'-P-C4' energy: -59.482
flat angles P-C4'-P energy: -44.083
tors. eta vs tors. theta energy: -73.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -799.867505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.867505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.867505 (E_RNA)
where:
Base-Base interactions energy: -556.429
where: short stacking energy: -235.193
Base-Backbone interact. energy: -1.441
local terms energy: -241.997456
where:
bonds (distance) C4'-P energy: -46.551
bonds (distance) P-C4' energy: -51.819
flat angles C4'-P-C4' energy: -45.214
flat angles P-C4'-P energy: -34.346
tors. eta vs tors. theta energy: -64.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -693.735542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.735542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.735542 (E_RNA)
where:
Base-Base interactions energy: -462.319
where: short stacking energy: -188.017
Base-Backbone interact. energy: 1.684
local terms energy: -233.100651
where:
bonds (distance) C4'-P energy: -44.333
bonds (distance) P-C4' energy: -50.960
flat angles C4'-P-C4' energy: -51.653
flat angles P-C4'-P energy: -31.236
tors. eta vs tors. theta energy: -54.918
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: 5
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -710.564423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.564423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.564423 (E_RNA)
where:
Base-Base interactions energy: -497.265
where: short stacking energy: -202.508
Base-Backbone interact. energy: -0.288
local terms energy: -213.011382
where:
bonds (distance) C4'-P energy: -38.832
bonds (distance) P-C4' energy: -36.743
flat angles C4'-P-C4' energy: -51.052
flat angles P-C4'-P energy: -30.521
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: 8, replica: 3
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -662.437388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.437388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.437388 (E_RNA)
where:
Base-Base interactions energy: -454.841
where: short stacking energy: -187.605
Base-Backbone interact. energy: -0.365
local terms energy: -207.231947
where:
bonds (distance) C4'-P energy: -48.986
bonds (distance) P-C4' energy: -33.219
flat angles C4'-P-C4' energy: -42.984
flat angles P-C4'-P energy: -41.686
tors. eta vs tors. theta energy: -40.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -440.973495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.973495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.973495 (E_RNA)
where:
Base-Base interactions energy: -273.730
where: short stacking energy: -131.932
Base-Backbone interact. energy: -2.213
local terms energy: -165.031216
where:
bonds (distance) C4'-P energy: -33.034
bonds (distance) P-C4' energy: -49.340
flat angles C4'-P-C4' energy: -31.533
flat angles P-C4'-P energy: -29.764
tors. eta vs tors. theta energy: -21.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -223.339990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.339990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.339990 (E_RNA)
where:
Base-Base interactions energy: -88.093
where: short stacking energy: -58.641
Base-Backbone interact. energy: -1.543
local terms energy: -133.703275
where:
bonds (distance) C4'-P energy: -37.152
bonds (distance) P-C4' energy: -50.244
flat angles C4'-P-C4' energy: -30.683
flat angles P-C4'-P energy: -16.251
tors. eta vs tors. theta energy: 0.626
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: 1, replica: 1
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -943.519532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.519532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.519532 (E_RNA)
where:
Base-Base interactions energy: -671.227
where: short stacking energy: -279.340
Base-Backbone interact. energy: -0.516
local terms energy: -271.776815
where:
bonds (distance) C4'-P energy: -44.718
bonds (distance) P-C4' energy: -45.701
flat angles C4'-P-C4' energy: -64.793
flat angles P-C4'-P energy: -42.840
tors. eta vs tors. theta energy: -73.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -950.214455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.214455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.214455 (E_RNA)
where:
Base-Base interactions energy: -661.137
where: short stacking energy: -284.169
Base-Backbone interact. energy: 0.226
local terms energy: -289.303134
where:
bonds (distance) C4'-P energy: -51.533
bonds (distance) P-C4' energy: -52.146
flat angles C4'-P-C4' energy: -58.686
flat angles P-C4'-P energy: -45.168
tors. eta vs tors. theta energy: -81.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -875.008687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.008687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.008687 (E_RNA)
where:
Base-Base interactions energy: -601.073
where: short stacking energy: -251.546
Base-Backbone interact. energy: -0.319
local terms energy: -273.616463
where:
bonds (distance) C4'-P energy: -51.186
bonds (distance) P-C4' energy: -53.115
flat angles C4'-P-C4' energy: -59.174
flat angles P-C4'-P energy: -31.617
tors. eta vs tors. theta energy: -78.525
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: 4
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -809.425067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.425067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.425067 (E_RNA)
where:
Base-Base interactions energy: -573.085
where: short stacking energy: -236.175
Base-Backbone interact. energy: -0.916
local terms energy: -235.423613
where:
bonds (distance) C4'-P energy: -48.039
bonds (distance) P-C4' energy: -48.098
flat angles C4'-P-C4' energy: -48.718
flat angles P-C4'-P energy: -28.050
tors. eta vs tors. theta energy: -62.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -807.232328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.232328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.232328 (E_RNA)
where:
Base-Base interactions energy: -550.896
where: short stacking energy: -237.696
Base-Backbone interact. energy: -0.438
local terms energy: -255.898083
where:
bonds (distance) C4'-P energy: -44.237
bonds (distance) P-C4' energy: -53.031
flat angles C4'-P-C4' energy: -55.441
flat angles P-C4'-P energy: -38.465
tors. eta vs tors. theta energy: -64.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -739.511749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.511749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.511749 (E_RNA)
where:
Base-Base interactions energy: -495.066
where: short stacking energy: -209.893
Base-Backbone interact. energy: 0.481
local terms energy: -244.926804
where:
bonds (distance) C4'-P energy: -44.988
bonds (distance) P-C4' energy: -51.149
flat angles C4'-P-C4' energy: -48.256
flat angles P-C4'-P energy: -40.913
tors. eta vs tors. theta energy: -59.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -716.680446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.680446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.680446 (E_RNA)
where:
Base-Base interactions energy: -490.510
where: short stacking energy: -214.099
Base-Backbone interact. energy: -1.438
local terms energy: -224.732249
where:
bonds (distance) C4'-P energy: -34.984
bonds (distance) P-C4' energy: -46.528
flat angles C4'-P-C4' energy: -47.287
flat angles P-C4'-P energy: -38.189
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: 3
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -688.025792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.025792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.025792 (E_RNA)
where:
Base-Base interactions energy: -487.447
where: short stacking energy: -193.249
Base-Backbone interact. energy: -0.595
local terms energy: -199.983743
where:
bonds (distance) C4'-P energy: -37.506
bonds (distance) P-C4' energy: -28.881
flat angles C4'-P-C4' energy: -43.180
flat angles P-C4'-P energy: -38.816
tors. eta vs tors. theta energy: -51.601
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: 9, replica: 9
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -509.831415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.831415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.831415 (E_RNA)
where:
Base-Base interactions energy: -339.376
where: short stacking energy: -151.259
Base-Backbone interact. energy: -0.188
local terms energy: -170.267998
where:
bonds (distance) C4'-P energy: -41.933
bonds (distance) P-C4' energy: -39.671
flat angles C4'-P-C4' energy: -41.858
flat angles P-C4'-P energy: -19.059
tors. eta vs tors. theta energy: -27.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -259.733618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.733618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.733618 (E_RNA)
where:
Base-Base interactions energy: -115.206
where: short stacking energy: -65.269
Base-Backbone interact. energy: 0.711
local terms energy: -145.238304
where:
bonds (distance) C4'-P energy: -36.311
bonds (distance) P-C4' energy: -46.235
flat angles C4'-P-C4' energy: -44.226
flat angles P-C4'-P energy: -23.155
tors. eta vs tors. theta energy: 4.690
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: 296
Temperature: 0.900000
Total energy: -951.226368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.226368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.226368 (E_RNA)
where:
Base-Base interactions energy: -665.846
where: short stacking energy: -294.667
Base-Backbone interact. energy: -1.625
local terms energy: -283.755697
where:
bonds (distance) C4'-P energy: -51.984
bonds (distance) P-C4' energy: -55.965
flat angles C4'-P-C4' energy: -57.198
flat angles P-C4'-P energy: -32.734
tors. eta vs tors. theta energy: -85.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -934.056959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.056959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.056959 (E_RNA)
where:
Base-Base interactions energy: -638.524
where: short stacking energy: -276.963
Base-Backbone interact. energy: -1.352
local terms energy: -294.180981
where:
bonds (distance) C4'-P energy: -56.906
bonds (distance) P-C4' energy: -55.201
flat angles C4'-P-C4' energy: -59.943
flat angles P-C4'-P energy: -39.836
tors. eta vs tors. theta energy: -82.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -830.734469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.734469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.734469 (E_RNA)
where:
Base-Base interactions energy: -577.960
where: short stacking energy: -228.239
Base-Backbone interact. energy: -1.747
local terms energy: -251.027517
where:
bonds (distance) C4'-P energy: -45.825
bonds (distance) P-C4' energy: -52.694
flat angles C4'-P-C4' energy: -57.815
flat angles P-C4'-P energy: -30.982
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: 4, replica: 10
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -836.155809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.155809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.155809 (E_RNA)
where:
Base-Base interactions energy: -571.379
where: short stacking energy: -259.561
Base-Backbone interact. energy: -1.793
local terms energy: -262.983802
where:
bonds (distance) C4'-P energy: -44.978
bonds (distance) P-C4' energy: -46.128
flat angles C4'-P-C4' energy: -55.424
flat angles P-C4'-P energy: -37.626
tors. eta vs tors. theta energy: -78.828
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: 5, replica: 8
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -807.413473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.413473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.413473 (E_RNA)
where:
Base-Base interactions energy: -546.588
where: short stacking energy: -229.998
Base-Backbone interact. energy: -0.519
local terms energy: -260.306367
where:
bonds (distance) C4'-P energy: -46.857
bonds (distance) P-C4' energy: -59.102
flat angles C4'-P-C4' energy: -56.523
flat angles P-C4'-P energy: -33.252
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: 6, replica: 5
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -770.261387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.261387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.261387 (E_RNA)
where:
Base-Base interactions energy: -516.596
where: short stacking energy: -204.857
Base-Backbone interact. energy: 4.175
local terms energy: -257.840244
where:
bonds (distance) C4'-P energy: -56.880
bonds (distance) P-C4' energy: -56.330
flat angles C4'-P-C4' energy: -46.467
flat angles P-C4'-P energy: -39.625
tors. eta vs tors. theta energy: -58.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -673.168197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.168197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.168197 (E_RNA)
where:
Base-Base interactions energy: -447.261
where: short stacking energy: -196.364
Base-Backbone interact. energy: -1.398
local terms energy: -224.509195
where:
bonds (distance) C4'-P energy: -45.205
bonds (distance) P-C4' energy: -38.019
flat angles C4'-P-C4' energy: -49.263
flat angles P-C4'-P energy: -42.025
tors. eta vs tors. theta energy: -49.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -705.533775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.533775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.533775 (E_RNA)
where:
Base-Base interactions energy: -483.822
where: short stacking energy: -196.322
Base-Backbone interact. energy: 1.949
local terms energy: -223.661438
where:
bonds (distance) C4'-P energy: -41.632
bonds (distance) P-C4' energy: -52.177
flat angles C4'-P-C4' energy: -45.220
flat angles P-C4'-P energy: -26.315
tors. eta vs tors. theta energy: -58.318
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: 9, replica: 9
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -508.555007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.555007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.555007 (E_RNA)
where:
Base-Base interactions energy: -321.951
where: short stacking energy: -155.504
Base-Backbone interact. energy: 0.108
local terms energy: -186.711816
where:
bonds (distance) C4'-P energy: -42.451
bonds (distance) P-C4' energy: -45.509
flat angles C4'-P-C4' energy: -49.971
flat angles P-C4'-P energy: -22.291
tors. eta vs tors. theta energy: -26.490
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: 6
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -273.033381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.033381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.033381 (E_RNA)
where:
Base-Base interactions energy: -126.943
where: short stacking energy: -85.943
Base-Backbone interact. energy: 0.578
local terms energy: -146.668967
where:
bonds (distance) C4'-P energy: -37.079
bonds (distance) P-C4' energy: -46.551
flat angles C4'-P-C4' energy: -38.353
flat angles P-C4'-P energy: -28.667
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: 2
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -969.356672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.356672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.356672 (E_RNA)
where:
Base-Base interactions energy: -664.657
where: short stacking energy: -289.316
Base-Backbone interact. energy: -1.148
local terms energy: -303.552501
where:
bonds (distance) C4'-P energy: -55.561
bonds (distance) P-C4' energy: -56.915
flat angles C4'-P-C4' energy: -59.046
flat angles P-C4'-P energy: -45.792
tors. eta vs tors. theta energy: -86.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -916.176946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.176946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.176946 (E_RNA)
where:
Base-Base interactions energy: -635.224
where: short stacking energy: -284.437
Base-Backbone interact. energy: 1.379
local terms energy: -282.332136
where:
bonds (distance) C4'-P energy: -46.082
bonds (distance) P-C4' energy: -54.667
flat angles C4'-P-C4' energy: -60.659
flat angles P-C4'-P energy: -36.932
tors. eta vs tors. theta energy: -83.992
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: 4
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -857.169404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.169404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.169404 (E_RNA)
where:
Base-Base interactions energy: -573.250
where: short stacking energy: -248.934
Base-Backbone interact. energy: -0.502
local terms energy: -283.417619
where:
bonds (distance) C4'-P energy: -57.990
bonds (distance) P-C4' energy: -58.865
flat angles C4'-P-C4' energy: -55.399
flat angles P-C4'-P energy: -36.328
tors. eta vs tors. theta energy: -74.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -845.776287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.776287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.776287 (E_RNA)
where:
Base-Base interactions energy: -588.717
where: short stacking energy: -229.204
Base-Backbone interact. energy: -0.130
local terms energy: -256.928897
where:
bonds (distance) C4'-P energy: -54.626
bonds (distance) P-C4' energy: -46.477
flat angles C4'-P-C4' energy: -51.128
flat angles P-C4'-P energy: -37.335
tors. eta vs tors. theta energy: -67.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -811.672516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.672516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.672516 (E_RNA)
where:
Base-Base interactions energy: -560.225
where: short stacking energy: -243.486
Base-Backbone interact. energy: -0.328
local terms energy: -251.118942
where:
bonds (distance) C4'-P energy: -43.964
bonds (distance) P-C4' energy: -48.157
flat angles C4'-P-C4' energy: -48.430
flat angles P-C4'-P energy: -44.678
tors. eta vs tors. theta energy: -65.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -778.240383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.240383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.240383 (E_RNA)
where:
Base-Base interactions energy: -516.357
where: short stacking energy: -215.320
Base-Backbone interact. energy: -1.057
local terms energy: -260.826294
where:
bonds (distance) C4'-P energy: -55.787
bonds (distance) P-C4' energy: -50.007
flat angles C4'-P-C4' energy: -50.322
flat angles P-C4'-P energy: -46.169
tors. eta vs tors. theta energy: -58.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -653.243537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.243537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.243537 (E_RNA)
where:
Base-Base interactions energy: -439.038
where: short stacking energy: -198.891
Base-Backbone interact. energy: 0.515
local terms energy: -214.720167
where:
bonds (distance) C4'-P energy: -39.719
bonds (distance) P-C4' energy: -47.517
flat angles C4'-P-C4' energy: -47.810
flat angles P-C4'-P energy: -28.502
tors. eta vs tors. theta energy: -51.173
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: 3
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -699.889736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.889736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.889736 (E_RNA)
where:
Base-Base interactions energy: -475.792
where: short stacking energy: -198.770
Base-Backbone interact. energy: 0.880
local terms energy: -224.978175
where:
bonds (distance) C4'-P energy: -50.105
bonds (distance) P-C4' energy: -48.217
flat angles C4'-P-C4' energy: -53.271
flat angles P-C4'-P energy: -27.706
tors. eta vs tors. theta energy: -45.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -539.771602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.771602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.771602 (E_RNA)
where:
Base-Base interactions energy: -335.266
where: short stacking energy: -159.721
Base-Backbone interact. energy: 0.026
local terms energy: -204.531885
where:
bonds (distance) C4'-P energy: -50.960
bonds (distance) P-C4' energy: -50.704
flat angles C4'-P-C4' energy: -48.141
flat angles P-C4'-P energy: -20.378
tors. eta vs tors. theta energy: -34.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -259.042649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.042649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.042649 (E_RNA)
where:
Base-Base interactions energy: -116.973
where: short stacking energy: -69.186
Base-Backbone interact. energy: -0.817
local terms energy: -141.253513
where:
bonds (distance) C4'-P energy: -48.712
bonds (distance) P-C4' energy: -44.958
flat angles C4'-P-C4' energy: -33.834
flat angles P-C4'-P energy: -21.668
tors. eta vs tors. theta energy: 7.918
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: 1, replica: 2
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -962.790750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.790750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.790750 (E_RNA)
where:
Base-Base interactions energy: -676.457
where: short stacking energy: -280.857
Base-Backbone interact. energy: -0.407
local terms energy: -285.927105
where:
bonds (distance) C4'-P energy: -53.834
bonds (distance) P-C4' energy: -53.328
flat angles C4'-P-C4' energy: -62.639
flat angles P-C4'-P energy: -37.785
tors. eta vs tors. theta energy: -78.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -956.883286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.883286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.883286 (E_RNA)
where:
Base-Base interactions energy: -671.702
where: short stacking energy: -292.676
Base-Backbone interact. energy: -1.087
local terms energy: -284.094078
where:
bonds (distance) C4'-P energy: -51.720
bonds (distance) P-C4' energy: -44.364
flat angles C4'-P-C4' energy: -62.059
flat angles P-C4'-P energy: -39.233
tors. eta vs tors. theta energy: -86.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -857.124795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.124795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.124795 (E_RNA)
where:
Base-Base interactions energy: -580.155
where: short stacking energy: -242.137
Base-Backbone interact. energy: -0.829
local terms energy: -276.140625
where:
bonds (distance) C4'-P energy: -49.536
bonds (distance) P-C4' energy: -59.171
flat angles C4'-P-C4' energy: -57.292
flat angles P-C4'-P energy: -42.582
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: 4, replica: 10
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -849.544039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.544039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.544039 (E_RNA)
where:
Base-Base interactions energy: -592.970
where: short stacking energy: -254.550
Base-Backbone interact. energy: -1.174
local terms energy: -255.400740
where:
bonds (distance) C4'-P energy: -40.615
bonds (distance) P-C4' energy: -46.197
flat angles C4'-P-C4' energy: -54.690
flat angles P-C4'-P energy: -43.250
tors. eta vs tors. theta energy: -70.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -828.149248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.149248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.149248 (E_RNA)
where:
Base-Base interactions energy: -576.485
where: short stacking energy: -230.766
Base-Backbone interact. energy: -0.285
local terms energy: -251.379476
where:
bonds (distance) C4'-P energy: -47.730
bonds (distance) P-C4' energy: -47.891
flat angles C4'-P-C4' energy: -55.584
flat angles P-C4'-P energy: -36.177
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: 5
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -763.938045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.938045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.938045 (E_RNA)
where:
Base-Base interactions energy: -519.229
where: short stacking energy: -213.492
Base-Backbone interact. energy: -0.129
local terms energy: -244.579771
where:
bonds (distance) C4'-P energy: -53.130
bonds (distance) P-C4' energy: -39.102
flat angles C4'-P-C4' energy: -47.521
flat angles P-C4'-P energy: -44.355
tors. eta vs tors. theta energy: -60.471
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: 7, replica: 3
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -726.609828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.609828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.609828 (E_RNA)
where:
Base-Base interactions energy: -498.538
where: short stacking energy: -207.762
Base-Backbone interact. energy: -0.697
local terms energy: -227.374872
where:
bonds (distance) C4'-P energy: -39.131
bonds (distance) P-C4' energy: -44.521
flat angles C4'-P-C4' energy: -54.920
flat angles P-C4'-P energy: -40.596
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: 8, replica: 7
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -630.904499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.904499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.904499 (E_RNA)
where:
Base-Base interactions energy: -407.452
where: short stacking energy: -185.385
Base-Backbone interact. energy: -1.040
local terms energy: -222.412975
where:
bonds (distance) C4'-P energy: -46.176
bonds (distance) P-C4' energy: -41.044
flat angles C4'-P-C4' energy: -47.353
flat angles P-C4'-P energy: -35.798
tors. eta vs tors. theta energy: -52.042
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: 298
Temperature: 1.300000
Total energy: -520.822987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.822987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.822987 (E_RNA)
where:
Base-Base interactions energy: -349.196
where: short stacking energy: -139.875
Base-Backbone interact. energy: -1.257
local terms energy: -170.370766
where:
bonds (distance) C4'-P energy: -41.520
bonds (distance) P-C4' energy: -38.023
flat angles C4'-P-C4' energy: -46.172
flat angles P-C4'-P energy: -25.940
tors. eta vs tors. theta energy: -18.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -233.620401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.620401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.620401 (E_RNA)
where:
Base-Base interactions energy: -75.469
where: short stacking energy: -47.465
Base-Backbone interact. energy: -1.533
local terms energy: -156.618137
where:
bonds (distance) C4'-P energy: -51.228
bonds (distance) P-C4' energy: -41.517
flat angles C4'-P-C4' energy: -42.674
flat angles P-C4'-P energy: -36.607
tors. eta vs tors. theta energy: 15.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -949.219776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.219776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.219776 (E_RNA)
where:
Base-Base interactions energy: -662.011
where: short stacking energy: -284.080
Base-Backbone interact. energy: 0.801
local terms energy: -288.009667
where:
bonds (distance) C4'-P energy: -52.423
bonds (distance) P-C4' energy: -55.849
flat angles C4'-P-C4' energy: -64.925
flat angles P-C4'-P energy: -33.663
tors. eta vs tors. theta energy: -81.150
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: 1
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -940.377982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.377982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.377982 (E_RNA)
where:
Base-Base interactions energy: -641.746
where: short stacking energy: -287.143
Base-Backbone interact. energy: 0.182
local terms energy: -298.813971
where:
bonds (distance) C4'-P energy: -48.806
bonds (distance) P-C4' energy: -51.921
flat angles C4'-P-C4' energy: -62.684
flat angles P-C4'-P energy: -47.555
tors. eta vs tors. theta energy: -87.847
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: 4
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -860.125751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.125751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.125751 (E_RNA)
where:
Base-Base interactions energy: -586.756
where: short stacking energy: -235.610
Base-Backbone interact. energy: -1.743
local terms energy: -271.626949
where:
bonds (distance) C4'-P energy: -56.720
bonds (distance) P-C4' energy: -49.725
flat angles C4'-P-C4' energy: -52.842
flat angles P-C4'-P energy: -40.146
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: 4, replica: 8
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -861.448378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.448378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.448378 (E_RNA)
where:
Base-Base interactions energy: -574.786
where: short stacking energy: -238.516
Base-Backbone interact. energy: -2.118
local terms energy: -284.544171
where:
bonds (distance) C4'-P energy: -51.233
bonds (distance) P-C4' energy: -59.696
flat angles C4'-P-C4' energy: -59.268
flat angles P-C4'-P energy: -39.388
tors. eta vs tors. theta energy: -74.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -823.269194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.269194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.269194 (E_RNA)
where:
Base-Base interactions energy: -572.522
where: short stacking energy: -253.547
Base-Backbone interact. energy: 1.966
local terms energy: -252.712508
where:
bonds (distance) C4'-P energy: -46.867
bonds (distance) P-C4' energy: -44.193
flat angles C4'-P-C4' energy: -53.510
flat angles P-C4'-P energy: -34.861
tors. eta vs tors. theta energy: -73.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -768.037433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.037433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.037433 (E_RNA)
where:
Base-Base interactions energy: -530.216
where: short stacking energy: -237.836
Base-Backbone interact. energy: -0.368
local terms energy: -237.453631
where:
bonds (distance) C4'-P energy: -42.458
bonds (distance) P-C4' energy: -34.834
flat angles C4'-P-C4' energy: -55.883
flat angles P-C4'-P energy: -39.161
tors. eta vs tors. theta energy: -65.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -697.862341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.862341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.862341 (E_RNA)
where:
Base-Base interactions energy: -466.295
where: short stacking energy: -191.306
Base-Backbone interact. energy: -0.041
local terms energy: -231.525837
where:
bonds (distance) C4'-P energy: -47.345
bonds (distance) P-C4' energy: -47.470
flat angles C4'-P-C4' energy: -53.263
flat angles P-C4'-P energy: -29.613
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: 7
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -641.902724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.902724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.902724 (E_RNA)
where:
Base-Base interactions energy: -427.928
where: short stacking energy: -192.371
Base-Backbone interact. energy: 8.116
local terms energy: -222.090523
where:
bonds (distance) C4'-P energy: -41.420
bonds (distance) P-C4' energy: -43.063
flat angles C4'-P-C4' energy: -54.170
flat angles P-C4'-P energy: -33.149
tors. eta vs tors. theta energy: -50.290
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: 9
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -519.529703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.529703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.529703 (E_RNA)
where:
Base-Base interactions energy: -353.880
where: short stacking energy: -143.165
Base-Backbone interact. energy: 0.061
local terms energy: -165.710063
where:
bonds (distance) C4'-P energy: -25.127
bonds (distance) P-C4' energy: -45.341
flat angles C4'-P-C4' energy: -39.149
flat angles P-C4'-P energy: -28.911
tors. eta vs tors. theta energy: -27.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -246.268184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.268184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.268184 (E_RNA)
where:
Base-Base interactions energy: -80.339
where: short stacking energy: -63.295
Base-Backbone interact. energy: -1.901
local terms energy: -164.028223
where:
bonds (distance) C4'-P energy: -48.846
bonds (distance) P-C4' energy: -45.650
flat angles C4'-P-C4' energy: -47.714
flat angles P-C4'-P energy: -14.852
tors. eta vs tors. theta energy: -6.966
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: 1, replica: 2
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -952.527602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.527602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.527602 (E_RNA)
where:
Base-Base interactions energy: -664.859
where: short stacking energy: -294.608
Base-Backbone interact. energy: -0.028
local terms energy: -287.639904
where:
bonds (distance) C4'-P energy: -50.756
bonds (distance) P-C4' energy: -55.868
flat angles C4'-P-C4' energy: -58.862
flat angles P-C4'-P energy: -38.418
tors. eta vs tors. theta energy: -83.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -939.530091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.530091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.530091 (E_RNA)
where:
Base-Base interactions energy: -647.052
where: short stacking energy: -271.406
Base-Backbone interact. energy: -0.940
local terms energy: -291.538099
where:
bonds (distance) C4'-P energy: -47.600
bonds (distance) P-C4' energy: -58.658
flat angles C4'-P-C4' energy: -59.414
flat angles P-C4'-P energy: -43.782
tors. eta vs tors. theta energy: -82.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -872.290384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.290384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.290384 (E_RNA)
where:
Base-Base interactions energy: -603.452
where: short stacking energy: -258.255
Base-Backbone interact. energy: -0.816
local terms energy: -268.022984
where:
bonds (distance) C4'-P energy: -46.832
bonds (distance) P-C4' energy: -55.195
flat angles C4'-P-C4' energy: -54.971
flat angles P-C4'-P energy: -38.658
tors. eta vs tors. theta energy: -72.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -831.704506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.704506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.704506 (E_RNA)
where:
Base-Base interactions energy: -555.112
where: short stacking energy: -235.947
Base-Backbone interact. energy: -0.238
local terms energy: -276.355244
where:
bonds (distance) C4'-P energy: -48.914
bonds (distance) P-C4' energy: -56.945
flat angles C4'-P-C4' energy: -61.983
flat angles P-C4'-P energy: -39.631
tors. eta vs tors. theta energy: -68.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -837.035688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.035688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.035688 (E_RNA)
where:
Base-Base interactions energy: -580.373
where: short stacking energy: -244.943
Base-Backbone interact. energy: -0.014
local terms energy: -256.649295
where:
bonds (distance) C4'-P energy: -49.656
bonds (distance) P-C4' energy: -47.397
flat angles C4'-P-C4' energy: -58.554
flat angles P-C4'-P energy: -32.159
tors. eta vs tors. theta energy: -68.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -746.658625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.658625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.658625 (E_RNA)
where:
Base-Base interactions energy: -513.982
where: short stacking energy: -210.103
Base-Backbone interact. energy: 1.368
local terms energy: -234.044060
where:
bonds (distance) C4'-P energy: -41.215
bonds (distance) P-C4' energy: -52.274
flat angles C4'-P-C4' energy: -47.453
flat angles P-C4'-P energy: -34.812
tors. eta vs tors. theta energy: -58.290
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: 3
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -710.511040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.511040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.511040 (E_RNA)
where:
Base-Base interactions energy: -490.554
where: short stacking energy: -209.721
Base-Backbone interact. energy: 0.712
local terms energy: -220.669647
where:
bonds (distance) C4'-P energy: -41.127
bonds (distance) P-C4' energy: -42.222
flat angles C4'-P-C4' energy: -48.521
flat angles P-C4'-P energy: -33.047
tors. eta vs tors. theta energy: -55.753
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: 7
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -619.499500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.499500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.499500 (E_RNA)
where:
Base-Base interactions energy: -405.379
where: short stacking energy: -165.910
Base-Backbone interact. energy: -0.489
local terms energy: -213.631030
where:
bonds (distance) C4'-P energy: -42.836
bonds (distance) P-C4' energy: -43.933
flat angles C4'-P-C4' energy: -47.170
flat angles P-C4'-P energy: -28.517
tors. eta vs tors. theta energy: -51.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -572.393228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.393228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.393228 (E_RNA)
where:
Base-Base interactions energy: -369.538
where: short stacking energy: -167.780
Base-Backbone interact. energy: -0.956
local terms energy: -201.899360
where:
bonds (distance) C4'-P energy: -41.886
bonds (distance) P-C4' energy: -50.245
flat angles C4'-P-C4' energy: -46.347
flat angles P-C4'-P energy: -33.408
tors. eta vs tors. theta energy: -30.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -225.717158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.717158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.717158 (E_RNA)
where:
Base-Base interactions energy: -75.296
where: short stacking energy: -47.757
Base-Backbone interact. energy: -0.272
local terms energy: -150.148502
where:
bonds (distance) C4'-P energy: -38.413
bonds (distance) P-C4' energy: -41.233
flat angles C4'-P-C4' energy: -41.335
flat angles P-C4'-P energy: -33.328
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: 2
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -947.719742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.719742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.719742 (E_RNA)
where:
Base-Base interactions energy: -654.742
where: short stacking energy: -290.037
Base-Backbone interact. energy: -1.618
local terms energy: -291.359175
where:
bonds (distance) C4'-P energy: -56.456
bonds (distance) P-C4' energy: -53.645
flat angles C4'-P-C4' energy: -60.440
flat angles P-C4'-P energy: -42.120
tors. eta vs tors. theta energy: -78.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -933.659924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.659924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.659924 (E_RNA)
where:
Base-Base interactions energy: -648.024
where: short stacking energy: -265.133
Base-Backbone interact. energy: -0.468
local terms energy: -285.167489
where:
bonds (distance) C4'-P energy: -54.386
bonds (distance) P-C4' energy: -52.387
flat angles C4'-P-C4' energy: -57.621
flat angles P-C4'-P energy: -38.981
tors. eta vs tors. theta energy: -81.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -875.237401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.237401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.237401 (E_RNA)
where:
Base-Base interactions energy: -598.943
where: short stacking energy: -254.325
Base-Backbone interact. energy: -2.131
local terms energy: -274.163503
where:
bonds (distance) C4'-P energy: -41.346
bonds (distance) P-C4' energy: -58.469
flat angles C4'-P-C4' energy: -60.866
flat angles P-C4'-P energy: -38.934
tors. eta vs tors. theta energy: -74.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -841.697368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.697368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.697368 (E_RNA)
where:
Base-Base interactions energy: -581.148
where: short stacking energy: -243.497
Base-Backbone interact. energy: -1.928
local terms energy: -258.621343
where:
bonds (distance) C4'-P energy: -50.175
bonds (distance) P-C4' energy: -49.978
flat angles C4'-P-C4' energy: -57.225
flat angles P-C4'-P energy: -35.496
tors. eta vs tors. theta energy: -65.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -834.567065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.567065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.567065 (E_RNA)
where:
Base-Base interactions energy: -586.594
where: short stacking energy: -258.786
Base-Backbone interact. energy: -0.537
local terms energy: -247.435183
where:
bonds (distance) C4'-P energy: -43.416
bonds (distance) P-C4' energy: -46.361
flat angles C4'-P-C4' energy: -45.840
flat angles P-C4'-P energy: -37.402
tors. eta vs tors. theta energy: -74.415
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: 5
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -730.352905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.352905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.352905 (E_RNA)
where:
Base-Base interactions energy: -508.400
where: short stacking energy: -189.314
Base-Backbone interact. energy: -1.023
local terms energy: -220.929599
where:
bonds (distance) C4'-P energy: -38.894
bonds (distance) P-C4' energy: -44.881
flat angles C4'-P-C4' energy: -53.736
flat angles P-C4'-P energy: -34.821
tors. eta vs tors. theta energy: -48.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -719.889756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.889756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.889756 (E_RNA)
where:
Base-Base interactions energy: -497.645
where: short stacking energy: -204.684
Base-Backbone interact. energy: 2.214
local terms energy: -224.459330
where:
bonds (distance) C4'-P energy: -38.017
bonds (distance) P-C4' energy: -44.979
flat angles C4'-P-C4' energy: -41.612
flat angles P-C4'-P energy: -39.305
tors. eta vs tors. theta energy: -60.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -583.940204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.940204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.940204 (E_RNA)
where:
Base-Base interactions energy: -380.328
where: short stacking energy: -171.231
Base-Backbone interact. energy: -0.877
local terms energy: -202.734487
where:
bonds (distance) C4'-P energy: -52.714
bonds (distance) P-C4' energy: -49.062
flat angles C4'-P-C4' energy: -41.531
flat angles P-C4'-P energy: -28.233
tors. eta vs tors. theta energy: -31.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -623.663263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.663263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.663263 (E_RNA)
where:
Base-Base interactions energy: -408.965
where: short stacking energy: -162.288
Base-Backbone interact. energy: 1.533
local terms energy: -216.231382
where:
bonds (distance) C4'-P energy: -46.506
bonds (distance) P-C4' energy: -50.294
flat angles C4'-P-C4' energy: -50.722
flat angles P-C4'-P energy: -20.247
tors. eta vs tors. theta energy: -48.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -211.075956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.075956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.075956 (E_RNA)
where:
Base-Base interactions energy: -83.090
where: short stacking energy: -71.427
Base-Backbone interact. energy: 4.912
local terms energy: -132.897796
where:
bonds (distance) C4'-P energy: -42.339
bonds (distance) P-C4' energy: -17.931
flat angles C4'-P-C4' energy: -43.955
flat angles P-C4'-P energy: -27.137
tors. eta vs tors. theta energy: -1.536
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: 1, replica: 1
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -954.826817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.826817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.826817 (E_RNA)
where:
Base-Base interactions energy: -672.073
where: short stacking energy: -281.554
Base-Backbone interact. energy: -2.508
local terms energy: -280.246272
where:
bonds (distance) C4'-P energy: -49.982
bonds (distance) P-C4' energy: -50.783
flat angles C4'-P-C4' energy: -53.566
flat angles P-C4'-P energy: -43.644
tors. eta vs tors. theta energy: -82.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -957.318874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.318874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.318874 (E_RNA)
where:
Base-Base interactions energy: -649.119
where: short stacking energy: -286.302
Base-Backbone interact. energy: 0.372
local terms energy: -308.571670
where:
bonds (distance) C4'-P energy: -44.299
bonds (distance) P-C4' energy: -63.512
flat angles C4'-P-C4' energy: -61.698
flat angles P-C4'-P energy: -53.288
tors. eta vs tors. theta energy: -85.774
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: 3, replica: 8
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -867.642219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.642219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.642219 (E_RNA)
where:
Base-Base interactions energy: -575.659
where: short stacking energy: -254.928
Base-Backbone interact. energy: -0.269
local terms energy: -291.714619
where:
bonds (distance) C4'-P energy: -52.897
bonds (distance) P-C4' energy: -54.831
flat angles C4'-P-C4' energy: -57.043
flat angles P-C4'-P energy: -46.749
tors. eta vs tors. theta energy: -80.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -827.906085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.906085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.906085 (E_RNA)
where:
Base-Base interactions energy: -573.446
where: short stacking energy: -235.858
Base-Backbone interact. energy: -0.063
local terms energy: -254.396923
where:
bonds (distance) C4'-P energy: -55.178
bonds (distance) P-C4' energy: -45.897
flat angles C4'-P-C4' energy: -47.866
flat angles P-C4'-P energy: -39.172
tors. eta vs tors. theta energy: -66.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -833.429310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.429310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.429310 (E_RNA)
where:
Base-Base interactions energy: -584.003
where: short stacking energy: -236.415
Base-Backbone interact. energy: -0.757
local terms energy: -248.668776
where:
bonds (distance) C4'-P energy: -41.998
bonds (distance) P-C4' energy: -47.422
flat angles C4'-P-C4' energy: -57.846
flat angles P-C4'-P energy: -32.318
tors. eta vs tors. theta energy: -69.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -780.408758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.408758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.408758 (E_RNA)
where:
Base-Base interactions energy: -545.721
where: short stacking energy: -211.631
Base-Backbone interact. energy: -0.589
local terms energy: -234.098283
where:
bonds (distance) C4'-P energy: -42.272
bonds (distance) P-C4' energy: -47.628
flat angles C4'-P-C4' energy: -59.531
flat angles P-C4'-P energy: -27.877
tors. eta vs tors. theta energy: -56.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -653.956530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.956530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.956530 (E_RNA)
where:
Base-Base interactions energy: -433.141
where: short stacking energy: -188.862
Base-Backbone interact. energy: 0.626
local terms energy: -221.441096
where:
bonds (distance) C4'-P energy: -38.300
bonds (distance) P-C4' energy: -48.340
flat angles C4'-P-C4' energy: -56.986
flat angles P-C4'-P energy: -31.002
tors. eta vs tors. theta energy: -46.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -702.622107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.622107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.622107 (E_RNA)
where:
Base-Base interactions energy: -484.492
where: short stacking energy: -195.824
Base-Backbone interact. energy: -1.956
local terms energy: -216.173419
where:
bonds (distance) C4'-P energy: -41.354
bonds (distance) P-C4' energy: -51.855
flat angles C4'-P-C4' energy: -47.168
flat angles P-C4'-P energy: -24.480
tors. eta vs tors. theta energy: -51.316
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: 7
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -624.871641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.871641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.871641 (E_RNA)
where:
Base-Base interactions energy: -400.683
where: short stacking energy: -170.255
Base-Backbone interact. energy: -0.058
local terms energy: -224.130790
where:
bonds (distance) C4'-P energy: -44.730
bonds (distance) P-C4' energy: -50.954
flat angles C4'-P-C4' energy: -51.771
flat angles P-C4'-P energy: -34.213
tors. eta vs tors. theta energy: -42.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -222.360561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.360561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.360561 (E_RNA)
where:
Base-Base interactions energy: -86.064
where: short stacking energy: -64.253
Base-Backbone interact. energy: 1.214
local terms energy: -137.510963
where:
bonds (distance) C4'-P energy: -43.416
bonds (distance) P-C4' energy: -45.312
flat angles C4'-P-C4' energy: -26.388
flat angles P-C4'-P energy: -20.803
tors. eta vs tors. theta energy: -1.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -952.229291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.229291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.229291 (E_RNA)
where:
Base-Base interactions energy: -642.972
where: short stacking energy: -275.821
Base-Backbone interact. energy: -1.122
local terms energy: -308.136079
where:
bonds (distance) C4'-P energy: -55.926
bonds (distance) P-C4' energy: -57.416
flat angles C4'-P-C4' energy: -65.236
flat angles P-C4'-P energy: -42.128
tors. eta vs tors. theta energy: -87.431
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: 2
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -923.516601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.516601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.516601 (E_RNA)
where:
Base-Base interactions energy: -643.923
where: short stacking energy: -274.882
Base-Backbone interact. energy: 1.443
local terms energy: -281.036517
where:
bonds (distance) C4'-P energy: -47.877
bonds (distance) P-C4' energy: -54.614
flat angles C4'-P-C4' energy: -60.000
flat angles P-C4'-P energy: -36.814
tors. eta vs tors. theta energy: -81.731
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: 8
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -875.873753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.873753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.873753 (E_RNA)
where:
Base-Base interactions energy: -601.515
where: short stacking energy: -271.788
Base-Backbone interact. energy: -2.462
local terms energy: -271.896545
where:
bonds (distance) C4'-P energy: -52.028
bonds (distance) P-C4' energy: -44.766
flat angles C4'-P-C4' energy: -57.326
flat angles P-C4'-P energy: -35.566
tors. eta vs tors. theta energy: -82.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -838.980535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.980535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.980535 (E_RNA)
where:
Base-Base interactions energy: -585.374
where: short stacking energy: -249.644
Base-Backbone interact. energy: -0.153
local terms energy: -253.454119
where:
bonds (distance) C4'-P energy: -51.205
bonds (distance) P-C4' energy: -47.290
flat angles C4'-P-C4' energy: -51.928
flat angles P-C4'-P energy: -39.360
tors. eta vs tors. theta energy: -63.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -828.194338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.194338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.194338 (E_RNA)
where:
Base-Base interactions energy: -580.634
where: short stacking energy: -238.566
Base-Backbone interact. energy: -0.642
local terms energy: -246.918454
where:
bonds (distance) C4'-P energy: -49.785
bonds (distance) P-C4' energy: -34.952
flat angles C4'-P-C4' energy: -54.040
flat angles P-C4'-P energy: -39.785
tors. eta vs tors. theta energy: -68.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -740.800965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.800965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.800965 (E_RNA)
where:
Base-Base interactions energy: -517.856
where: short stacking energy: -219.207
Base-Backbone interact. energy: -1.606
local terms energy: -221.339153
where:
bonds (distance) C4'-P energy: -40.139
bonds (distance) P-C4' energy: -41.625
flat angles C4'-P-C4' energy: -50.941
flat angles P-C4'-P energy: -31.313
tors. eta vs tors. theta energy: -57.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -700.894932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.894932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.894932 (E_RNA)
where:
Base-Base interactions energy: -485.316
where: short stacking energy: -198.512
Base-Backbone interact. energy: -0.222
local terms energy: -215.357526
where:
bonds (distance) C4'-P energy: -44.511
bonds (distance) P-C4' energy: -40.372
flat angles C4'-P-C4' energy: -45.124
flat angles P-C4'-P energy: -38.750
tors. eta vs tors. theta energy: -46.600
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: 8, replica: 3
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -670.356901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.356901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.356901 (E_RNA)
where:
Base-Base interactions energy: -478.344
where: short stacking energy: -191.508
Base-Backbone interact. energy: -0.034
local terms energy: -191.979653
where:
bonds (distance) C4'-P energy: -30.436
bonds (distance) P-C4' energy: -45.689
flat angles C4'-P-C4' energy: -31.273
flat angles P-C4'-P energy: -33.128
tors. eta vs tors. theta energy: -51.454
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: 7
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -633.500850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.500850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.500850 (E_RNA)
where:
Base-Base interactions energy: -419.505
where: short stacking energy: -158.280
Base-Backbone interact. energy: 4.294
local terms energy: -218.290167
where:
bonds (distance) C4'-P energy: -49.225
bonds (distance) P-C4' energy: -49.201
flat angles C4'-P-C4' energy: -49.791
flat angles P-C4'-P energy: -31.006
tors. eta vs tors. theta energy: -39.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -207.208481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.208481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.208481 (E_RNA)
where:
Base-Base interactions energy: -58.349
where: short stacking energy: -42.623
Base-Backbone interact. energy: 0.298
local terms energy: -149.157145
where:
bonds (distance) C4'-P energy: -42.010
bonds (distance) P-C4' energy: -48.699
flat angles C4'-P-C4' energy: -45.360
flat angles P-C4'-P energy: -17.335
tors. eta vs tors. theta energy: 4.246
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: 1
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -960.518814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.518814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.518814 (E_RNA)
where:
Base-Base interactions energy: -660.632
where: short stacking energy: -294.466
Base-Backbone interact. energy: 0.445
local terms energy: -300.331897
where:
bonds (distance) C4'-P energy: -56.373
bonds (distance) P-C4' energy: -53.525
flat angles C4'-P-C4' energy: -62.703
flat angles P-C4'-P energy: -41.714
tors. eta vs tors. theta energy: -86.017
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: 2
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -932.533642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.533642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.533642 (E_RNA)
where:
Base-Base interactions energy: -656.819
where: short stacking energy: -269.199
Base-Backbone interact. energy: 1.500
local terms energy: -277.214658
where:
bonds (distance) C4'-P energy: -54.448
bonds (distance) P-C4' energy: -47.971
flat angles C4'-P-C4' energy: -54.645
flat angles P-C4'-P energy: -40.730
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: 8
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -856.735342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.735342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.735342 (E_RNA)
where:
Base-Base interactions energy: -579.726
where: short stacking energy: -252.329
Base-Backbone interact. energy: 0.624
local terms energy: -277.633462
where:
bonds (distance) C4'-P energy: -51.132
bonds (distance) P-C4' energy: -50.220
flat angles C4'-P-C4' energy: -62.339
flat angles P-C4'-P energy: -39.160
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: 4, replica: 10
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -849.032157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.032157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.032157 (E_RNA)
where:
Base-Base interactions energy: -581.487
where: short stacking energy: -250.115
Base-Backbone interact. energy: -2.114
local terms energy: -265.431225
where:
bonds (distance) C4'-P energy: -46.064
bonds (distance) P-C4' energy: -44.162
flat angles C4'-P-C4' energy: -65.469
flat angles P-C4'-P energy: -37.516
tors. eta vs tors. theta energy: -72.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -802.817326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.817326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.817326 (E_RNA)
where:
Base-Base interactions energy: -558.091
where: short stacking energy: -209.029
Base-Backbone interact. energy: -2.143
local terms energy: -242.583087
where:
bonds (distance) C4'-P energy: -46.848
bonds (distance) P-C4' energy: -54.450
flat angles C4'-P-C4' energy: -52.407
flat angles P-C4'-P energy: -29.951
tors. eta vs tors. theta energy: -58.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -746.079656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.079656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.079656 (E_RNA)
where:
Base-Base interactions energy: -515.021
where: short stacking energy: -207.579
Base-Backbone interact. energy: -0.300
local terms energy: -230.758995
where:
bonds (distance) C4'-P energy: -47.109
bonds (distance) P-C4' energy: -45.642
flat angles C4'-P-C4' energy: -46.012
flat angles P-C4'-P energy: -30.823
tors. eta vs tors. theta energy: -61.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -729.646788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.646788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.646788 (E_RNA)
where:
Base-Base interactions energy: -504.102
where: short stacking energy: -221.154
Base-Backbone interact. energy: -0.039
local terms energy: -225.505589
where:
bonds (distance) C4'-P energy: -48.159
bonds (distance) P-C4' energy: -51.390
flat angles C4'-P-C4' energy: -45.469
flat angles P-C4'-P energy: -24.957
tors. eta vs tors. theta energy: -55.531
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: 3
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -683.214827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.214827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.214827 (E_RNA)
where:
Base-Base interactions energy: -476.262
where: short stacking energy: -195.302
Base-Backbone interact. energy: -0.391
local terms energy: -206.561796
where:
bonds (distance) C4'-P energy: -46.865
bonds (distance) P-C4' energy: -37.862
flat angles C4'-P-C4' energy: -42.227
flat angles P-C4'-P energy: -28.324
tors. eta vs tors. theta energy: -51.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -617.551028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.551028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.551028 (E_RNA)
where:
Base-Base interactions energy: -399.304
where: short stacking energy: -174.575
Base-Backbone interact. energy: 0.286
local terms energy: -218.533009
where:
bonds (distance) C4'-P energy: -36.813
bonds (distance) P-C4' energy: -54.991
flat angles C4'-P-C4' energy: -47.286
flat angles P-C4'-P energy: -29.241
tors. eta vs tors. theta energy: -50.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -239.899230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.899230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.899230 (E_RNA)
where:
Base-Base interactions energy: -85.838
where: short stacking energy: -77.195
Base-Backbone interact. energy: 2.327
local terms energy: -156.388182
where:
bonds (distance) C4'-P energy: -44.287
bonds (distance) P-C4' energy: -50.491
flat angles C4'-P-C4' energy: -31.188
flat angles P-C4'-P energy: -24.395
tors. eta vs tors. theta energy: -6.026
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: 1
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -951.551806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.551806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.551806 (E_RNA)
where:
Base-Base interactions energy: -651.103
where: short stacking energy: -295.911
Base-Backbone interact. energy: -0.086
local terms energy: -300.363015
where:
bonds (distance) C4'-P energy: -56.653
bonds (distance) P-C4' energy: -53.036
flat angles C4'-P-C4' energy: -59.884
flat angles P-C4'-P energy: -44.502
tors. eta vs tors. theta energy: -86.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -919.139564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.139564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.139564 (E_RNA)
where:
Base-Base interactions energy: -637.703
where: short stacking energy: -276.945
Base-Backbone interact. energy: -0.473
local terms energy: -280.963429
where:
bonds (distance) C4'-P energy: -50.903
bonds (distance) P-C4' energy: -48.779
flat angles C4'-P-C4' energy: -60.372
flat angles P-C4'-P energy: -41.350
tors. eta vs tors. theta energy: -79.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -868.026295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.026295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.026295 (E_RNA)
where:
Base-Base interactions energy: -606.625
where: short stacking energy: -251.533
Base-Backbone interact. energy: -0.665
local terms energy: -260.736253
where:
bonds (distance) C4'-P energy: -41.817
bonds (distance) P-C4' energy: -58.356
flat angles C4'-P-C4' energy: -51.406
flat angles P-C4'-P energy: -36.151
tors. eta vs tors. theta energy: -73.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -808.398048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.398048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.398048 (E_RNA)
where:
Base-Base interactions energy: -562.848
where: short stacking energy: -231.145
Base-Backbone interact. energy: 0.914
local terms energy: -246.464292
where:
bonds (distance) C4'-P energy: -48.699
bonds (distance) P-C4' energy: -46.027
flat angles C4'-P-C4' energy: -55.987
flat angles P-C4'-P energy: -35.221
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: 5, replica: 10
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -812.679669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.679669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.679669 (E_RNA)
where:
Base-Base interactions energy: -565.727
where: short stacking energy: -224.375
Base-Backbone interact. energy: -1.020
local terms energy: -245.932878
where:
bonds (distance) C4'-P energy: -51.045
bonds (distance) P-C4' energy: -39.175
flat angles C4'-P-C4' energy: -54.070
flat angles P-C4'-P energy: -34.347
tors. eta vs tors. theta energy: -67.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -739.075331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.075331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.075331 (E_RNA)
where:
Base-Base interactions energy: -495.879
where: short stacking energy: -201.493
Base-Backbone interact. energy: -0.310
local terms energy: -242.885916
where:
bonds (distance) C4'-P energy: -49.839
bonds (distance) P-C4' energy: -56.842
flat angles C4'-P-C4' energy: -52.858
flat angles P-C4'-P energy: -33.966
tors. eta vs tors. theta energy: -49.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -706.483087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.483087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.483087 (E_RNA)
where:
Base-Base interactions energy: -486.639
where: short stacking energy: -197.475
Base-Backbone interact. energy: 1.496
local terms energy: -221.340690
where:
bonds (distance) C4'-P energy: -45.021
bonds (distance) P-C4' energy: -41.931
flat angles C4'-P-C4' energy: -46.770
flat angles P-C4'-P energy: -33.601
tors. eta vs tors. theta energy: -54.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -673.998249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.998249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.998249 (E_RNA)
where:
Base-Base interactions energy: -469.853
where: short stacking energy: -183.663
Base-Backbone interact. energy: -0.522
local terms energy: -203.623321
where:
bonds (distance) C4'-P energy: -32.345
bonds (distance) P-C4' energy: -46.814
flat angles C4'-P-C4' energy: -54.152
flat angles P-C4'-P energy: -21.830
tors. eta vs tors. theta energy: -48.482
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: 7
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -617.136343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.136343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.136343 (E_RNA)
where:
Base-Base interactions energy: -418.961
where: short stacking energy: -179.151
Base-Backbone interact. energy: 1.736
local terms energy: -199.911857
where:
bonds (distance) C4'-P energy: -46.706
bonds (distance) P-C4' energy: -43.949
flat angles C4'-P-C4' energy: -43.767
flat angles P-C4'-P energy: -30.739
tors. eta vs tors. theta energy: -34.751
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: 6
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -213.888752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.888752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.888752 (E_RNA)
where:
Base-Base interactions energy: -77.417
where: short stacking energy: -65.245
Base-Backbone interact. energy: 0.593
local terms energy: -137.065129
where:
bonds (distance) C4'-P energy: -45.579
bonds (distance) P-C4' energy: -42.018
flat angles C4'-P-C4' energy: -43.268
flat angles P-C4'-P energy: -15.148
tors. eta vs tors. theta energy: 8.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -942.654578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.654578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.654578 (E_RNA)
where:
Base-Base interactions energy: -662.089
where: short stacking energy: -294.716
Base-Backbone interact. energy: -1.592
local terms energy: -278.973151
where:
bonds (distance) C4'-P energy: -44.032
bonds (distance) P-C4' energy: -50.087
flat angles C4'-P-C4' energy: -61.517
flat angles P-C4'-P energy: -37.358
tors. eta vs tors. theta energy: -85.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -943.172789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.172789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.172789 (E_RNA)
where:
Base-Base interactions energy: -656.010
where: short stacking energy: -277.249
Base-Backbone interact. energy: -0.049
local terms energy: -287.113231
where:
bonds (distance) C4'-P energy: -56.594
bonds (distance) P-C4' energy: -50.481
flat angles C4'-P-C4' energy: -59.924
flat angles P-C4'-P energy: -34.838
tors. eta vs tors. theta energy: -85.276
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: 8
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -860.351870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.351870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.351870 (E_RNA)
where:
Base-Base interactions energy: -588.228
where: short stacking energy: -260.408
Base-Backbone interact. energy: -0.433
local terms energy: -271.690277
where:
bonds (distance) C4'-P energy: -50.313
bonds (distance) P-C4' energy: -60.187
flat angles C4'-P-C4' energy: -54.774
flat angles P-C4'-P energy: -32.074
tors. eta vs tors. theta energy: -74.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -837.312126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.312126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.312126 (E_RNA)
where:
Base-Base interactions energy: -569.173
where: short stacking energy: -236.742
Base-Backbone interact. energy: 0.420
local terms energy: -268.558264
where:
bonds (distance) C4'-P energy: -53.378
bonds (distance) P-C4' energy: -49.910
flat angles C4'-P-C4' energy: -58.369
flat angles P-C4'-P energy: -38.106
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: 10
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -839.793136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.793136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.793136 (E_RNA)
where:
Base-Base interactions energy: -570.628
where: short stacking energy: -256.287
Base-Backbone interact. energy: -1.262
local terms energy: -267.903638
where:
bonds (distance) C4'-P energy: -51.506
bonds (distance) P-C4' energy: -53.863
flat angles C4'-P-C4' energy: -52.180
flat angles P-C4'-P energy: -39.247
tors. eta vs tors. theta energy: -71.107
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: 5
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -743.116929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.116929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.116929 (E_RNA)
where:
Base-Base interactions energy: -524.774
where: short stacking energy: -205.693
Base-Backbone interact. energy: -1.140
local terms energy: -217.202719
where:
bonds (distance) C4'-P energy: -41.907
bonds (distance) P-C4' energy: -38.811
flat angles C4'-P-C4' energy: -50.747
flat angles P-C4'-P energy: -37.666
tors. eta vs tors. theta energy: -48.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -735.674147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.674147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.674147 (E_RNA)
where:
Base-Base interactions energy: -520.303
where: short stacking energy: -202.618
Base-Backbone interact. energy: 0.958
local terms energy: -216.328444
where:
bonds (distance) C4'-P energy: -41.783
bonds (distance) P-C4' energy: -48.169
flat angles C4'-P-C4' energy: -53.315
flat angles P-C4'-P energy: -22.465
tors. eta vs tors. theta energy: -50.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -706.077773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.077773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.077773 (E_RNA)
where:
Base-Base interactions energy: -474.851
where: short stacking energy: -204.152
Base-Backbone interact. energy: 0.798
local terms energy: -232.024830
where:
bonds (distance) C4'-P energy: -47.592
bonds (distance) P-C4' energy: -34.098
flat angles C4'-P-C4' energy: -52.980
flat angles P-C4'-P energy: -40.119
tors. eta vs tors. theta energy: -57.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -633.176187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.176187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.176187 (E_RNA)
where:
Base-Base interactions energy: -436.288
where: short stacking energy: -185.637
Base-Backbone interact. energy: 0.527
local terms energy: -197.414738
where:
bonds (distance) C4'-P energy: -43.185
bonds (distance) P-C4' energy: -32.570
flat angles C4'-P-C4' energy: -51.414
flat angles P-C4'-P energy: -29.090
tors. eta vs tors. theta energy: -41.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -230.048096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.048096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.048096 (E_RNA)
where:
Base-Base interactions energy: -81.408
where: short stacking energy: -74.126
Base-Backbone interact. energy: 0.070
local terms energy: -148.710606
where:
bonds (distance) C4'-P energy: -43.287
bonds (distance) P-C4' energy: -43.688
flat angles C4'-P-C4' energy: -35.283
flat angles P-C4'-P energy: -25.060
tors. eta vs tors. theta energy: -1.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -967.434537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.434537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.434537 (E_RNA)
where:
Base-Base interactions energy: -669.422
where: short stacking energy: -292.797
Base-Backbone interact. energy: -1.494
local terms energy: -296.518314
where:
bonds (distance) C4'-P energy: -56.644
bonds (distance) P-C4' energy: -53.838
flat angles C4'-P-C4' energy: -60.669
flat angles P-C4'-P energy: -33.232
tors. eta vs tors. theta energy: -92.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -928.619618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.619618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.619618 (E_RNA)
where:
Base-Base interactions energy: -659.289
where: short stacking energy: -274.913
Base-Backbone interact. energy: -0.727
local terms energy: -268.603073
where:
bonds (distance) C4'-P energy: -49.892
bonds (distance) P-C4' energy: -47.959
flat angles C4'-P-C4' energy: -60.326
flat angles P-C4'-P energy: -34.007
tors. eta vs tors. theta energy: -76.420
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: 8
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -865.118035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.118035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.118035 (E_RNA)
where:
Base-Base interactions energy: -602.607
where: short stacking energy: -253.298
Base-Backbone interact. energy: -0.915
local terms energy: -261.595636
where:
bonds (distance) C4'-P energy: -43.220
bonds (distance) P-C4' energy: -49.524
flat angles C4'-P-C4' energy: -60.805
flat angles P-C4'-P energy: -34.888
tors. eta vs tors. theta energy: -73.159
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: 10
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -857.063685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.063685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.063685 (E_RNA)
where:
Base-Base interactions energy: -588.810
where: short stacking energy: -255.975
Base-Backbone interact. energy: 0.029
local terms energy: -268.282396
where:
bonds (distance) C4'-P energy: -43.821
bonds (distance) P-C4' energy: -49.658
flat angles C4'-P-C4' energy: -54.790
flat angles P-C4'-P energy: -45.037
tors. eta vs tors. theta energy: -74.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -820.132873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.132873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.132873 (E_RNA)
where:
Base-Base interactions energy: -570.796
where: short stacking energy: -238.664
Base-Backbone interact. energy: -0.599
local terms energy: -248.737950
where:
bonds (distance) C4'-P energy: -50.931
bonds (distance) P-C4' energy: -45.387
flat angles C4'-P-C4' energy: -48.270
flat angles P-C4'-P energy: -34.650
tors. eta vs tors. theta energy: -69.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -733.546071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.546071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.546071 (E_RNA)
where:
Base-Base interactions energy: -494.470
where: short stacking energy: -205.519
Base-Backbone interact. energy: -0.686
local terms energy: -238.389923
where:
bonds (distance) C4'-P energy: -48.154
bonds (distance) P-C4' energy: -57.715
flat angles C4'-P-C4' energy: -47.875
flat angles P-C4'-P energy: -38.033
tors. eta vs tors. theta energy: -46.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -720.454060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.454060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.454060 (E_RNA)
where:
Base-Base interactions energy: -512.713
where: short stacking energy: -194.407
Base-Backbone interact. energy: 1.095
local terms energy: -208.835375
where:
bonds (distance) C4'-P energy: -32.380
bonds (distance) P-C4' energy: -48.356
flat angles C4'-P-C4' energy: -50.477
flat angles P-C4'-P energy: -24.138
tors. eta vs tors. theta energy: -53.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -681.125157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.125157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.125157 (E_RNA)
where:
Base-Base interactions energy: -477.212
where: short stacking energy: -197.090
Base-Backbone interact. energy: -0.459
local terms energy: -203.454939
where:
bonds (distance) C4'-P energy: -42.266
bonds (distance) P-C4' energy: -29.438
flat angles C4'-P-C4' energy: -44.343
flat angles P-C4'-P energy: -30.532
tors. eta vs tors. theta energy: -56.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -588.568981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.568981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.568981 (E_RNA)
where:
Base-Base interactions energy: -394.439
where: short stacking energy: -170.894
Base-Backbone interact. energy: -0.703
local terms energy: -193.426943
where:
bonds (distance) C4'-P energy: -30.630
bonds (distance) P-C4' energy: -44.581
flat angles C4'-P-C4' energy: -43.009
flat angles P-C4'-P energy: -33.071
tors. eta vs tors. theta energy: -42.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -221.471211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.471211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.471211 (E_RNA)
where:
Base-Base interactions energy: -71.818
where: short stacking energy: -67.608
Base-Backbone interact. energy: -1.466
local terms energy: -148.186457
where:
bonds (distance) C4'-P energy: -38.412
bonds (distance) P-C4' energy: -50.204
flat angles C4'-P-C4' energy: -34.939
flat angles P-C4'-P energy: -25.848
tors. eta vs tors. theta energy: 1.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -954.263320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.263320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.263320 (E_RNA)
where:
Base-Base interactions energy: -660.902
where: short stacking energy: -303.648
Base-Backbone interact. energy: -0.792
local terms energy: -292.568994
where:
bonds (distance) C4'-P energy: -55.621
bonds (distance) P-C4' energy: -48.919
flat angles C4'-P-C4' energy: -57.997
flat angles P-C4'-P energy: -42.538
tors. eta vs tors. theta energy: -87.493
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: 308
Temperature: 0.950000
Total energy: -926.667534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.667534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.667534 (E_RNA)
where:
Base-Base interactions energy: -646.996
where: short stacking energy: -262.194
Base-Backbone interact. energy: 0.123
local terms energy: -279.795447
where:
bonds (distance) C4'-P energy: -54.823
bonds (distance) P-C4' energy: -49.659
flat angles C4'-P-C4' energy: -58.072
flat angles P-C4'-P energy: -38.354
tors. eta vs tors. theta energy: -78.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -883.922708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.922708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.922708 (E_RNA)
where:
Base-Base interactions energy: -610.233
where: short stacking energy: -270.603
Base-Backbone interact. energy: -0.539
local terms energy: -273.150625
where:
bonds (distance) C4'-P energy: -41.502
bonds (distance) P-C4' energy: -51.986
flat angles C4'-P-C4' energy: -53.579
flat angles P-C4'-P energy: -42.080
tors. eta vs tors. theta energy: -84.003
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: 8
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -855.070296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.070296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.070296 (E_RNA)
where:
Base-Base interactions energy: -607.085
where: short stacking energy: -255.016
Base-Backbone interact. energy: 2.581
local terms energy: -250.566411
where:
bonds (distance) C4'-P energy: -43.674
bonds (distance) P-C4' energy: -43.841
flat angles C4'-P-C4' energy: -56.748
flat angles P-C4'-P energy: -36.063
tors. eta vs tors. theta energy: -70.241
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: 4
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -826.964829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.964829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.964829 (E_RNA)
where:
Base-Base interactions energy: -561.165
where: short stacking energy: -239.187
Base-Backbone interact. energy: -1.394
local terms energy: -264.406032
where:
bonds (distance) C4'-P energy: -50.907
bonds (distance) P-C4' energy: -49.538
flat angles C4'-P-C4' energy: -55.735
flat angles P-C4'-P energy: -33.321
tors. eta vs tors. theta energy: -74.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -751.346703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.346703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.346703 (E_RNA)
where:
Base-Base interactions energy: -524.583
where: short stacking energy: -211.076
Base-Backbone interact. energy: 2.133
local terms energy: -228.896763
where:
bonds (distance) C4'-P energy: -44.746
bonds (distance) P-C4' energy: -43.402
flat angles C4'-P-C4' energy: -55.656
flat angles P-C4'-P energy: -37.548
tors. eta vs tors. theta energy: -47.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -771.004428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.004428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.004428 (E_RNA)
where:
Base-Base interactions energy: -547.094
where: short stacking energy: -230.192
Base-Backbone interact. energy: -0.123
local terms energy: -223.787770
where:
bonds (distance) C4'-P energy: -49.885
bonds (distance) P-C4' energy: -31.339
flat angles C4'-P-C4' energy: -54.234
flat angles P-C4'-P energy: -29.491
tors. eta vs tors. theta energy: -58.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -661.678186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.678186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.678186 (E_RNA)
where:
Base-Base interactions energy: -465.065
where: short stacking energy: -188.804
Base-Backbone interact. energy: -0.022
local terms energy: -196.591799
where:
bonds (distance) C4'-P energy: -42.472
bonds (distance) P-C4' energy: -47.527
flat angles C4'-P-C4' energy: -38.684
flat angles P-C4'-P energy: -34.544
tors. eta vs tors. theta energy: -33.365
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: 7
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -606.136932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.136932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.136932 (E_RNA)
where:
Base-Base interactions energy: -406.194
where: short stacking energy: -175.681
Base-Backbone interact. energy: -0.651
local terms energy: -199.291717
where:
bonds (distance) C4'-P energy: -36.119
bonds (distance) P-C4' energy: -52.431
flat angles C4'-P-C4' energy: -42.393
flat angles P-C4'-P energy: -27.711
tors. eta vs tors. theta energy: -40.637
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: 10, replica: 6
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -222.484235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.484235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.484235 (E_RNA)
where:
Base-Base interactions energy: -86.939
where: short stacking energy: -65.985
Base-Backbone interact. energy: -0.372
local terms energy: -135.172449
where:
bonds (distance) C4'-P energy: -45.052
bonds (distance) P-C4' energy: -43.807
flat angles C4'-P-C4' energy: -30.194
flat angles P-C4'-P energy: -26.651
tors. eta vs tors. theta energy: 10.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -950.202568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.202568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.202568 (E_RNA)
where:
Base-Base interactions energy: -654.727
where: short stacking energy: -291.421
Base-Backbone interact. energy: 0.517
local terms energy: -295.992677
where:
bonds (distance) C4'-P energy: -56.852
bonds (distance) P-C4' energy: -51.317
flat angles C4'-P-C4' energy: -56.390
flat angles P-C4'-P energy: -45.852
tors. eta vs tors. theta energy: -85.580
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: 2, replica: 2
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -940.579770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.579770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.579770 (E_RNA)
where:
Base-Base interactions energy: -643.200
where: short stacking energy: -290.393
Base-Backbone interact. energy: 0.217
local terms energy: -297.596614
where:
bonds (distance) C4'-P energy: -46.880
bonds (distance) P-C4' energy: -49.401
flat angles C4'-P-C4' energy: -68.002
flat angles P-C4'-P energy: -42.684
tors. eta vs tors. theta energy: -90.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -869.724603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.724603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.724603 (E_RNA)
where:
Base-Base interactions energy: -597.379
where: short stacking energy: -264.587
Base-Backbone interact. energy: -0.263
local terms energy: -272.081865
where:
bonds (distance) C4'-P energy: -51.213
bonds (distance) P-C4' energy: -51.952
flat angles C4'-P-C4' energy: -58.498
flat angles P-C4'-P energy: -34.284
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: 4, replica: 8
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -848.590484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.590484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.590484 (E_RNA)
where:
Base-Base interactions energy: -589.595
where: short stacking energy: -238.813
Base-Backbone interact. energy: -0.367
local terms energy: -258.628852
where:
bonds (distance) C4'-P energy: -52.866
bonds (distance) P-C4' energy: -47.202
flat angles C4'-P-C4' energy: -54.476
flat angles P-C4'-P energy: -36.565
tors. eta vs tors. theta energy: -67.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -804.444419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.444419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.444419 (E_RNA)
where:
Base-Base interactions energy: -555.330
where: short stacking energy: -243.583
Base-Backbone interact. energy: -1.180
local terms energy: -247.934110
where:
bonds (distance) C4'-P energy: -53.210
bonds (distance) P-C4' energy: -38.676
flat angles C4'-P-C4' energy: -55.830
flat angles P-C4'-P energy: -34.805
tors. eta vs tors. theta energy: -65.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -771.568637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.568637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.568637 (E_RNA)
where:
Base-Base interactions energy: -535.134
where: short stacking energy: -216.668
Base-Backbone interact. energy: 0.019
local terms energy: -236.453152
where:
bonds (distance) C4'-P energy: -48.291
bonds (distance) P-C4' energy: -42.477
flat angles C4'-P-C4' energy: -53.928
flat angles P-C4'-P energy: -33.281
tors. eta vs tors. theta energy: -58.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -728.347406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.347406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.347406 (E_RNA)
where:
Base-Base interactions energy: -490.962
where: short stacking energy: -202.090
Base-Backbone interact. energy: -0.654
local terms energy: -236.731514
where:
bonds (distance) C4'-P energy: -38.379
bonds (distance) P-C4' energy: -50.718
flat angles C4'-P-C4' energy: -56.454
flat angles P-C4'-P energy: -32.427
tors. eta vs tors. theta energy: -58.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -696.973702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.973702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.973702 (E_RNA)
where:
Base-Base interactions energy: -481.602
where: short stacking energy: -191.302
Base-Backbone interact. energy: -0.159
local terms energy: -215.212343
where:
bonds (distance) C4'-P energy: -40.365
bonds (distance) P-C4' energy: -44.720
flat angles C4'-P-C4' energy: -45.699
flat angles P-C4'-P energy: -38.894
tors. eta vs tors. theta energy: -45.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -616.535387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.535387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.535387 (E_RNA)
where:
Base-Base interactions energy: -418.548
where: short stacking energy: -167.890
Base-Backbone interact. energy: -0.597
local terms energy: -197.391047
where:
bonds (distance) C4'-P energy: -37.875
bonds (distance) P-C4' energy: -49.926
flat angles C4'-P-C4' energy: -36.820
flat angles P-C4'-P energy: -27.916
tors. eta vs tors. theta energy: -44.853
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: 6
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -212.510887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.510887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.510887 (E_RNA)
where:
Base-Base interactions energy: -61.146
where: short stacking energy: -50.878
Base-Backbone interact. energy: -1.471
local terms energy: -149.893999
where:
bonds (distance) C4'-P energy: -33.994
bonds (distance) P-C4' energy: -45.405
flat angles C4'-P-C4' energy: -45.493
flat angles P-C4'-P energy: -27.018
tors. eta vs tors. theta energy: 2.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -945.007402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.007402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.007402 (E_RNA)
where:
Base-Base interactions energy: -657.337
where: short stacking energy: -289.839
Base-Backbone interact. energy: -0.764
local terms energy: -286.906623
where:
bonds (distance) C4'-P energy: -49.717
bonds (distance) P-C4' energy: -50.520
flat angles C4'-P-C4' energy: -62.061
flat angles P-C4'-P energy: -38.933
tors. eta vs tors. theta energy: -85.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -947.226017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.226017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.226017 (E_RNA)
where:
Base-Base interactions energy: -667.625
where: short stacking energy: -282.910
Base-Backbone interact. energy: -0.337
local terms energy: -279.263779
where:
bonds (distance) C4'-P energy: -50.877
bonds (distance) P-C4' energy: -53.437
flat angles C4'-P-C4' energy: -50.080
flat angles P-C4'-P energy: -44.189
tors. eta vs tors. theta energy: -80.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -886.716364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.716364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.716364 (E_RNA)
where:
Base-Base interactions energy: -615.477
where: short stacking energy: -258.726
Base-Backbone interact. energy: -0.364
local terms energy: -270.874940
where:
bonds (distance) C4'-P energy: -54.119
bonds (distance) P-C4' energy: -54.457
flat angles C4'-P-C4' energy: -55.257
flat angles P-C4'-P energy: -36.849
tors. eta vs tors. theta energy: -70.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -861.276348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.276348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.276348 (E_RNA)
where:
Base-Base interactions energy: -594.091
where: short stacking energy: -246.362
Base-Backbone interact. energy: -0.819
local terms energy: -266.366870
where:
bonds (distance) C4'-P energy: -45.725
bonds (distance) P-C4' energy: -46.980
flat angles C4'-P-C4' energy: -55.302
flat angles P-C4'-P energy: -43.087
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: 5, replica: 4
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -802.096896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.096896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.096896 (E_RNA)
where:
Base-Base interactions energy: -540.115
where: short stacking energy: -229.795
Base-Backbone interact. energy: 2.896
local terms energy: -264.877196
where:
bonds (distance) C4'-P energy: -52.171
bonds (distance) P-C4' energy: -56.932
flat angles C4'-P-C4' energy: -52.191
flat angles P-C4'-P energy: -39.047
tors. eta vs tors. theta energy: -64.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -793.626909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.626909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.626909 (E_RNA)
where:
Base-Base interactions energy: -534.783
where: short stacking energy: -222.213
Base-Backbone interact. energy: -1.410
local terms energy: -257.434752
where:
bonds (distance) C4'-P energy: -54.457
bonds (distance) P-C4' energy: -54.906
flat angles C4'-P-C4' energy: -50.879
flat angles P-C4'-P energy: -35.510
tors. eta vs tors. theta energy: -61.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -699.298767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.298767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.298767 (E_RNA)
where:
Base-Base interactions energy: -494.373
where: short stacking energy: -200.702
Base-Backbone interact. energy: 0.043
local terms energy: -204.968796
where:
bonds (distance) C4'-P energy: -38.054
bonds (distance) P-C4' energy: -37.918
flat angles C4'-P-C4' energy: -44.519
flat angles P-C4'-P energy: -41.607
tors. eta vs tors. theta energy: -42.871
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: 9
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -733.040545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.040545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.040545 (E_RNA)
where:
Base-Base interactions energy: -508.564
where: short stacking energy: -209.420
Base-Backbone interact. energy: -1.156
local terms energy: -223.321011
where:
bonds (distance) C4'-P energy: -47.334
bonds (distance) P-C4' energy: -49.805
flat angles C4'-P-C4' energy: -40.469
flat angles P-C4'-P energy: -31.491
tors. eta vs tors. theta energy: -54.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -583.764048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.764048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.764048 (E_RNA)
where:
Base-Base interactions energy: -397.335
where: short stacking energy: -161.200
Base-Backbone interact. energy: -0.896
local terms energy: -185.532472
where:
bonds (distance) C4'-P energy: -36.246
bonds (distance) P-C4' energy: -36.017
flat angles C4'-P-C4' energy: -53.396
flat angles P-C4'-P energy: -32.296
tors. eta vs tors. theta energy: -27.577
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: 6
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -225.544868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.544868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.544868 (E_RNA)
where:
Base-Base interactions energy: -74.246
where: short stacking energy: -69.508
Base-Backbone interact. energy: 5.586
local terms energy: -156.884623
where:
bonds (distance) C4'-P energy: -38.970
bonds (distance) P-C4' energy: -49.081
flat angles C4'-P-C4' energy: -39.494
flat angles P-C4'-P energy: -32.454
tors. eta vs tors. theta energy: 3.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -954.133174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.133174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.133174 (E_RNA)
where:
Base-Base interactions energy: -656.756
where: short stacking energy: -289.852
Base-Backbone interact. energy: -1.544
local terms energy: -295.833641
where:
bonds (distance) C4'-P energy: -55.656
bonds (distance) P-C4' energy: -54.182
flat angles C4'-P-C4' energy: -58.372
flat angles P-C4'-P energy: -46.613
tors. eta vs tors. theta energy: -81.010
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: 2, replica: 2
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -948.019427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.019427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.019427 (E_RNA)
where:
Base-Base interactions energy: -653.891
where: short stacking energy: -292.083
Base-Backbone interact. energy: -1.337
local terms energy: -292.791476
where:
bonds (distance) C4'-P energy: -47.390
bonds (distance) P-C4' energy: -51.242
flat angles C4'-P-C4' energy: -63.438
flat angles P-C4'-P energy: -40.010
tors. eta vs tors. theta energy: -90.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -866.455613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.455613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.455613 (E_RNA)
where:
Base-Base interactions energy: -617.519
where: short stacking energy: -246.789
Base-Backbone interact. energy: -1.546
local terms energy: -247.389782
where:
bonds (distance) C4'-P energy: -50.845
bonds (distance) P-C4' energy: -33.628
flat angles C4'-P-C4' energy: -53.671
flat angles P-C4'-P energy: -39.171
tors. eta vs tors. theta energy: -70.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -828.511011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.511011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.511011 (E_RNA)
where:
Base-Base interactions energy: -571.160
where: short stacking energy: -232.722
Base-Backbone interact. energy: -1.203
local terms energy: -256.148237
where:
bonds (distance) C4'-P energy: -43.761
bonds (distance) P-C4' energy: -60.308
flat angles C4'-P-C4' energy: -53.645
flat angles P-C4'-P energy: -32.425
tors. eta vs tors. theta energy: -66.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -833.983792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.983792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.983792 (E_RNA)
where:
Base-Base interactions energy: -589.796
where: short stacking energy: -247.496
Base-Backbone interact. energy: -0.680
local terms energy: -243.507540
where:
bonds (distance) C4'-P energy: -43.252
bonds (distance) P-C4' energy: -47.058
flat angles C4'-P-C4' energy: -55.710
flat angles P-C4'-P energy: -33.687
tors. eta vs tors. theta energy: -63.801
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: 5
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -795.844844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.844844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.844844 (E_RNA)
where:
Base-Base interactions energy: -544.106
where: short stacking energy: -231.070
Base-Backbone interact. energy: -1.359
local terms energy: -250.379641
where:
bonds (distance) C4'-P energy: -39.478
bonds (distance) P-C4' energy: -59.736
flat angles C4'-P-C4' energy: -49.767
flat angles P-C4'-P energy: -34.447
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: 3
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -738.995389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.995389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.995389 (E_RNA)
where:
Base-Base interactions energy: -520.164
where: short stacking energy: -218.098
Base-Backbone interact. energy: 1.268
local terms energy: -220.099361
where:
bonds (distance) C4'-P energy: -37.296
bonds (distance) P-C4' energy: -41.916
flat angles C4'-P-C4' energy: -49.044
flat angles P-C4'-P energy: -39.621
tors. eta vs tors. theta energy: -52.222
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: 9
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -703.830993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.830993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.830993 (E_RNA)
where:
Base-Base interactions energy: -502.527
where: short stacking energy: -213.509
Base-Backbone interact. energy: 0.811
local terms energy: -202.114964
where:
bonds (distance) C4'-P energy: -41.297
bonds (distance) P-C4' energy: -35.755
flat angles C4'-P-C4' energy: -44.517
flat angles P-C4'-P energy: -22.751
tors. eta vs tors. theta energy: -57.796
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: 9, replica: 7
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -576.761398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.761398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.761398 (E_RNA)
where:
Base-Base interactions energy: -387.913
where: short stacking energy: -146.642
Base-Backbone interact. energy: 0.479
local terms energy: -189.327035
where:
bonds (distance) C4'-P energy: -47.827
bonds (distance) P-C4' energy: -41.058
flat angles C4'-P-C4' energy: -51.526
flat angles P-C4'-P energy: -21.889
tors. eta vs tors. theta energy: -27.027
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: 6
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -243.642354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.642354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.642354 (E_RNA)
where:
Base-Base interactions energy: -100.996
where: short stacking energy: -79.102
Base-Backbone interact. energy: -1.210
local terms energy: -141.436094
where:
bonds (distance) C4'-P energy: -42.936
bonds (distance) P-C4' energy: -40.345
flat angles C4'-P-C4' energy: -37.993
flat angles P-C4'-P energy: -21.857
tors. eta vs tors. theta energy: 1.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -956.453176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.453176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.453176 (E_RNA)
where:
Base-Base interactions energy: -658.701
where: short stacking energy: -293.907
Base-Backbone interact. energy: -1.391
local terms energy: -296.360691
where:
bonds (distance) C4'-P energy: -44.147
bonds (distance) P-C4' energy: -56.208
flat angles C4'-P-C4' energy: -57.537
flat angles P-C4'-P energy: -48.658
tors. eta vs tors. theta energy: -89.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -937.249726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.249726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.249726 (E_RNA)
where:
Base-Base interactions energy: -636.810
where: short stacking energy: -278.092
Base-Backbone interact. energy: -1.756
local terms energy: -298.684142
where:
bonds (distance) C4'-P energy: -50.704
bonds (distance) P-C4' energy: -57.899
flat angles C4'-P-C4' energy: -56.826
flat angles P-C4'-P energy: -47.646
tors. eta vs tors. theta energy: -85.609
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: 8
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -876.774063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.774063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.774063 (E_RNA)
where:
Base-Base interactions energy: -621.891
where: short stacking energy: -259.078
Base-Backbone interact. energy: -0.693
local terms energy: -254.190015
where:
bonds (distance) C4'-P energy: -52.353
bonds (distance) P-C4' energy: -41.913
flat angles C4'-P-C4' energy: -45.853
flat angles P-C4'-P energy: -36.193
tors. eta vs tors. theta energy: -77.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -868.325794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.325794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.325794 (E_RNA)
where:
Base-Base interactions energy: -591.139
where: short stacking energy: -252.826
Base-Backbone interact. energy: 1.263
local terms energy: -278.449291
where:
bonds (distance) C4'-P energy: -51.731
bonds (distance) P-C4' energy: -49.131
flat angles C4'-P-C4' energy: -59.412
flat angles P-C4'-P energy: -38.936
tors. eta vs tors. theta energy: -79.240
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: 5
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -794.517398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.517398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.517398 (E_RNA)
where:
Base-Base interactions energy: -559.742
where: short stacking energy: -233.474
Base-Backbone interact. energy: -0.913
local terms energy: -233.862839
where:
bonds (distance) C4'-P energy: -42.254
bonds (distance) P-C4' energy: -47.018
flat angles C4'-P-C4' energy: -53.483
flat angles P-C4'-P energy: -34.516
tors. eta vs tors. theta energy: -56.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -817.334316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.334316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.334316 (E_RNA)
where:
Base-Base interactions energy: -559.156
where: short stacking energy: -221.312
Base-Backbone interact. energy: -1.053
local terms energy: -257.125371
where:
bonds (distance) C4'-P energy: -42.929
bonds (distance) P-C4' energy: -50.362
flat angles C4'-P-C4' energy: -60.225
flat angles P-C4'-P energy: -34.343
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: 7, replica: 3
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -713.819812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.819812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.819812 (E_RNA)
where:
Base-Base interactions energy: -501.713
where: short stacking energy: -195.343
Base-Backbone interact. energy: 0.125
local terms energy: -212.232487
where:
bonds (distance) C4'-P energy: -45.323
bonds (distance) P-C4' energy: -48.064
flat angles C4'-P-C4' energy: -35.669
flat angles P-C4'-P energy: -34.959
tors. eta vs tors. theta energy: -48.218
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: 8, replica: 9
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -713.267010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.267010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.267010 (E_RNA)
where:
Base-Base interactions energy: -486.071
where: short stacking energy: -210.292
Base-Backbone interact. energy: -0.294
local terms energy: -226.901351
where:
bonds (distance) C4'-P energy: -35.083
bonds (distance) P-C4' energy: -52.944
flat angles C4'-P-C4' energy: -44.458
flat angles P-C4'-P energy: -33.040
tors. eta vs tors. theta energy: -61.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -562.243822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.243822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.243822 (E_RNA)
where:
Base-Base interactions energy: -371.596
where: short stacking energy: -163.576
Base-Backbone interact. energy: -1.106
local terms energy: -189.541503
where:
bonds (distance) C4'-P energy: -41.027
bonds (distance) P-C4' energy: -41.600
flat angles C4'-P-C4' energy: -45.652
flat angles P-C4'-P energy: -33.484
tors. eta vs tors. theta energy: -27.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -222.981309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.981309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.981309 (E_RNA)
where:
Base-Base interactions energy: -74.483
where: short stacking energy: -69.010
Base-Backbone interact. energy: -1.146
local terms energy: -147.352091
where:
bonds (distance) C4'-P energy: -47.897
bonds (distance) P-C4' energy: -52.015
flat angles C4'-P-C4' energy: -30.902
flat angles P-C4'-P energy: -26.316
tors. eta vs tors. theta energy: 9.778
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: 1, replica: 2
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -958.024820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.024820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.024820 (E_RNA)
where:
Base-Base interactions energy: -666.463
where: short stacking energy: -291.460
Base-Backbone interact. energy: -2.046
local terms energy: -289.516502
where:
bonds (distance) C4'-P energy: -45.160
bonds (distance) P-C4' energy: -49.209
flat angles C4'-P-C4' energy: -61.050
flat angles P-C4'-P energy: -43.773
tors. eta vs tors. theta energy: -90.325
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: 2, replica: 1
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -932.064383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.064383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.064383 (E_RNA)
where:
Base-Base interactions energy: -644.691
where: short stacking energy: -286.427
Base-Backbone interact. energy: -0.249
local terms energy: -287.124305
where:
bonds (distance) C4'-P energy: -54.508
bonds (distance) P-C4' energy: -53.293
flat angles C4'-P-C4' energy: -59.652
flat angles P-C4'-P energy: -36.695
tors. eta vs tors. theta energy: -82.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -882.961786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.961786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.961786 (E_RNA)
where:
Base-Base interactions energy: -602.510
where: short stacking energy: -253.173
Base-Backbone interact. energy: -1.593
local terms energy: -278.858694
where:
bonds (distance) C4'-P energy: -52.151
bonds (distance) P-C4' energy: -54.124
flat angles C4'-P-C4' energy: -58.637
flat angles P-C4'-P energy: -38.925
tors. eta vs tors. theta energy: -75.022
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: 313
Temperature: 1.050000
Total energy: -852.383155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.383155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.383155 (E_RNA)
where:
Base-Base interactions energy: -601.452
where: short stacking energy: -261.019
Base-Backbone interact. energy: -1.930
local terms energy: -249.001634
where:
bonds (distance) C4'-P energy: -49.215
bonds (distance) P-C4' energy: -41.346
flat angles C4'-P-C4' energy: -56.006
flat angles P-C4'-P energy: -31.442
tors. eta vs tors. theta energy: -70.993
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: 5
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -806.500471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.500471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.500471 (E_RNA)
where:
Base-Base interactions energy: -562.728
where: short stacking energy: -236.266
Base-Backbone interact. energy: -0.284
local terms energy: -243.488503
where:
bonds (distance) C4'-P energy: -45.976
bonds (distance) P-C4' energy: -49.333
flat angles C4'-P-C4' energy: -51.932
flat angles P-C4'-P energy: -40.340
tors. eta vs tors. theta energy: -55.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -807.577455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.577455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.577455 (E_RNA)
where:
Base-Base interactions energy: -562.289
where: short stacking energy: -226.066
Base-Backbone interact. energy: -0.772
local terms energy: -244.516608
where:
bonds (distance) C4'-P energy: -37.773
bonds (distance) P-C4' energy: -47.866
flat angles C4'-P-C4' energy: -53.100
flat angles P-C4'-P energy: -38.828
tors. eta vs tors. theta energy: -66.950
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: 3
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -706.663680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.663680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.663680 (E_RNA)
where:
Base-Base interactions energy: -490.079
where: short stacking energy: -201.060
Base-Backbone interact. energy: -0.491
local terms energy: -216.093536
where:
bonds (distance) C4'-P energy: -39.373
bonds (distance) P-C4' energy: -51.893
flat angles C4'-P-C4' energy: -56.304
flat angles P-C4'-P energy: -21.804
tors. eta vs tors. theta energy: -46.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -680.605381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.605381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.605381 (E_RNA)
where:
Base-Base interactions energy: -469.316
where: short stacking energy: -197.900
Base-Backbone interact. energy: -1.794
local terms energy: -209.494971
where:
bonds (distance) C4'-P energy: -42.598
bonds (distance) P-C4' energy: -37.735
flat angles C4'-P-C4' energy: -50.858
flat angles P-C4'-P energy: -16.921
tors. eta vs tors. theta energy: -61.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -523.687034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.687034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.687034 (E_RNA)
where:
Base-Base interactions energy: -341.641
where: short stacking energy: -147.919
Base-Backbone interact. energy: -1.183
local terms energy: -180.862619
where:
bonds (distance) C4'-P energy: -37.937
bonds (distance) P-C4' energy: -41.876
flat angles C4'-P-C4' energy: -40.216
flat angles P-C4'-P energy: -36.956
tors. eta vs tors. theta energy: -23.877
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: 6
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -227.959458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.959458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.959458 (E_RNA)
where:
Base-Base interactions energy: -83.538
where: short stacking energy: -63.329
Base-Backbone interact. energy: 5.334
local terms energy: -149.755383
where:
bonds (distance) C4'-P energy: -49.086
bonds (distance) P-C4' energy: -45.783
flat angles C4'-P-C4' energy: -43.340
flat angles P-C4'-P energy: -21.053
tors. eta vs tors. theta energy: 9.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -948.354586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.354586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.354586 (E_RNA)
where:
Base-Base interactions energy: -668.403
where: short stacking energy: -302.930
Base-Backbone interact. energy: -0.400
local terms energy: -279.550982
where:
bonds (distance) C4'-P energy: -42.797
bonds (distance) P-C4' energy: -53.022
flat angles C4'-P-C4' energy: -54.710
flat angles P-C4'-P energy: -46.136
tors. eta vs tors. theta energy: -82.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -920.358226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.358226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.358226 (E_RNA)
where:
Base-Base interactions energy: -626.670
where: short stacking energy: -272.408
Base-Backbone interact. energy: -0.486
local terms energy: -293.202803
where:
bonds (distance) C4'-P energy: -58.300
bonds (distance) P-C4' energy: -43.470
flat angles C4'-P-C4' energy: -63.333
flat angles P-C4'-P energy: -47.365
tors. eta vs tors. theta energy: -80.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -852.980524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.980524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.980524 (E_RNA)
where:
Base-Base interactions energy: -587.335
where: short stacking energy: -257.533
Base-Backbone interact. energy: -1.152
local terms energy: -264.493605
where:
bonds (distance) C4'-P energy: -52.520
bonds (distance) P-C4' energy: -42.343
flat angles C4'-P-C4' energy: -57.914
flat angles P-C4'-P energy: -36.520
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: 4, replica: 8
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -877.459675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.459675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.459675 (E_RNA)
where:
Base-Base interactions energy: -607.649
where: short stacking energy: -254.489
Base-Backbone interact. energy: 1.436
local terms energy: -271.246876
where:
bonds (distance) C4'-P energy: -48.293
bonds (distance) P-C4' energy: -49.201
flat angles C4'-P-C4' energy: -58.241
flat angles P-C4'-P energy: -38.756
tors. eta vs tors. theta energy: -76.756
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: 5
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -794.968904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.968904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.968904 (E_RNA)
where:
Base-Base interactions energy: -538.665
where: short stacking energy: -231.901
Base-Backbone interact. energy: -1.199
local terms energy: -255.104684
where:
bonds (distance) C4'-P energy: -51.183
bonds (distance) P-C4' energy: -47.868
flat angles C4'-P-C4' energy: -51.847
flat angles P-C4'-P energy: -39.424
tors. eta vs tors. theta energy: -64.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -785.014759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.014759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.014759 (E_RNA)
where:
Base-Base interactions energy: -556.587
where: short stacking energy: -219.312
Base-Backbone interact. energy: -0.921
local terms energy: -227.507286
where:
bonds (distance) C4'-P energy: -45.826
bonds (distance) P-C4' energy: -39.861
flat angles C4'-P-C4' energy: -49.330
flat angles P-C4'-P energy: -38.970
tors. eta vs tors. theta energy: -53.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -709.081779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.081779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.081779 (E_RNA)
where:
Base-Base interactions energy: -487.241
where: short stacking energy: -211.811
Base-Backbone interact. energy: -1.496
local terms energy: -220.345168
where:
bonds (distance) C4'-P energy: -36.846
bonds (distance) P-C4' energy: -41.443
flat angles C4'-P-C4' energy: -52.608
flat angles P-C4'-P energy: -29.137
tors. eta vs tors. theta energy: -60.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -564.975111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.975111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.975111 (E_RNA)
where:
Base-Base interactions energy: -360.802
where: short stacking energy: -165.564
Base-Backbone interact. energy: -0.017
local terms energy: -204.156334
where:
bonds (distance) C4'-P energy: -34.752
bonds (distance) P-C4' energy: -42.718
flat angles C4'-P-C4' energy: -50.596
flat angles P-C4'-P energy: -33.249
tors. eta vs tors. theta energy: -42.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -516.518627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.518627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.518627 (E_RNA)
where:
Base-Base interactions energy: -329.657
where: short stacking energy: -149.877
Base-Backbone interact. energy: -0.724
local terms energy: -186.137443
where:
bonds (distance) C4'-P energy: -48.240
bonds (distance) P-C4' energy: -44.724
flat angles C4'-P-C4' energy: -35.638
flat angles P-C4'-P energy: -27.798
tors. eta vs tors. theta energy: -29.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -224.243523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.243523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.243523 (E_RNA)
where:
Base-Base interactions energy: -76.370
where: short stacking energy: -58.228
Base-Backbone interact. energy: -0.898
local terms energy: -146.974838
where:
bonds (distance) C4'-P energy: -53.672
bonds (distance) P-C4' energy: -48.537
flat angles C4'-P-C4' energy: -36.693
flat angles P-C4'-P energy: -15.862
tors. eta vs tors. theta energy: 7.789
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: 2
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -955.037557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.037557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.037557 (E_RNA)
where:
Base-Base interactions energy: -673.743
where: short stacking energy: -276.608
Base-Backbone interact. energy: 2.594
local terms energy: -283.888381
where:
bonds (distance) C4'-P energy: -51.043
bonds (distance) P-C4' energy: -46.421
flat angles C4'-P-C4' energy: -60.882
flat angles P-C4'-P energy: -40.717
tors. eta vs tors. theta energy: -84.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -882.487636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.487636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.487636 (E_RNA)
where:
Base-Base interactions energy: -611.680
where: short stacking energy: -257.688
Base-Backbone interact. energy: -1.981
local terms energy: -268.826549
where:
bonds (distance) C4'-P energy: -46.207
bonds (distance) P-C4' energy: -50.164
flat angles C4'-P-C4' energy: -58.081
flat angles P-C4'-P energy: -41.974
tors. eta vs tors. theta energy: -72.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -911.519969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.519969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.519969 (E_RNA)
where:
Base-Base interactions energy: -632.792
where: short stacking energy: -269.017
Base-Backbone interact. energy: -0.766
local terms energy: -277.962493
where:
bonds (distance) C4'-P energy: -44.924
bonds (distance) P-C4' energy: -55.692
flat angles C4'-P-C4' energy: -60.433
flat angles P-C4'-P energy: -41.880
tors. eta vs tors. theta energy: -75.033
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: 8
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -875.803624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.803624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.803624 (E_RNA)
where:
Base-Base interactions energy: -601.554
where: short stacking energy: -249.064
Base-Backbone interact. energy: 1.495
local terms energy: -275.744765
where:
bonds (distance) C4'-P energy: -51.050
bonds (distance) P-C4' energy: -47.973
flat angles C4'-P-C4' energy: -58.678
flat angles P-C4'-P energy: -41.757
tors. eta vs tors. theta energy: -76.287
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: 5, replica: 5
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -786.232357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.232357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.232357 (E_RNA)
where:
Base-Base interactions energy: -541.492
where: short stacking energy: -223.742
Base-Backbone interact. energy: -2.498
local terms energy: -242.242527
where:
bonds (distance) C4'-P energy: -44.644
bonds (distance) P-C4' energy: -48.988
flat angles C4'-P-C4' energy: -51.864
flat angles P-C4'-P energy: -34.280
tors. eta vs tors. theta energy: -62.466
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: 6, replica: 3
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -780.880507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.880507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.880507 (E_RNA)
where:
Base-Base interactions energy: -537.875
where: short stacking energy: -226.645
Base-Backbone interact. energy: -2.219
local terms energy: -240.786252
where:
bonds (distance) C4'-P energy: -54.802
bonds (distance) P-C4' energy: -38.021
flat angles C4'-P-C4' energy: -46.948
flat angles P-C4'-P energy: -39.554
tors. eta vs tors. theta energy: -61.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -741.454163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.454163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.454163 (E_RNA)
where:
Base-Base interactions energy: -520.730
where: short stacking energy: -224.499
Base-Backbone interact. energy: 1.364
local terms energy: -222.088502
where:
bonds (distance) C4'-P energy: -45.098
bonds (distance) P-C4' energy: -39.725
flat angles C4'-P-C4' energy: -41.675
flat angles P-C4'-P energy: -29.339
tors. eta vs tors. theta energy: -66.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -529.895065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.895065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.895065 (E_RNA)
where:
Base-Base interactions energy: -324.207
where: short stacking energy: -153.462
Base-Backbone interact. energy: -3.135
local terms energy: -202.553206
where:
bonds (distance) C4'-P energy: -47.961
bonds (distance) P-C4' energy: -51.660
flat angles C4'-P-C4' energy: -45.297
flat angles P-C4'-P energy: -28.449
tors. eta vs tors. theta energy: -29.186
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: 315
Temperature: 1.300000
Total energy: -606.340713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.340713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.340713 (E_RNA)
where:
Base-Base interactions energy: -394.331
where: short stacking energy: -170.078
Base-Backbone interact. energy: -0.642
local terms energy: -211.367406
where:
bonds (distance) C4'-P energy: -44.632
bonds (distance) P-C4' energy: -56.032
flat angles C4'-P-C4' energy: -36.897
flat angles P-C4'-P energy: -30.497
tors. eta vs tors. theta energy: -43.311
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: 10, replica: 6
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -229.780055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.780055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.780055 (E_RNA)
where:
Base-Base interactions energy: -85.136
where: short stacking energy: -79.221
Base-Backbone interact. energy: -1.841
local terms energy: -142.802594
where:
bonds (distance) C4'-P energy: -41.891
bonds (distance) P-C4' energy: -37.438
flat angles C4'-P-C4' energy: -40.194
flat angles P-C4'-P energy: -21.118
tors. eta vs tors. theta energy: -2.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -944.804970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.804970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.804970 (E_RNA)
where:
Base-Base interactions energy: -669.212
where: short stacking energy: -279.185
Base-Backbone interact. energy: 2.138
local terms energy: -277.730963
where:
bonds (distance) C4'-P energy: -52.662
bonds (distance) P-C4' energy: -49.108
flat angles C4'-P-C4' energy: -58.291
flat angles P-C4'-P energy: -39.905
tors. eta vs tors. theta energy: -77.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -877.241810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.241810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.241810 (E_RNA)
where:
Base-Base interactions energy: -600.278
where: short stacking energy: -253.306
Base-Backbone interact. energy: -1.235
local terms energy: -275.728609
where:
bonds (distance) C4'-P energy: -48.905
bonds (distance) P-C4' energy: -56.315
flat angles C4'-P-C4' energy: -52.786
flat angles P-C4'-P energy: -42.833
tors. eta vs tors. theta energy: -74.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -897.062954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.062954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.062954 (E_RNA)
where:
Base-Base interactions energy: -629.557
where: short stacking energy: -268.027
Base-Backbone interact. energy: -0.287
local terms energy: -267.218178
where:
bonds (distance) C4'-P energy: -46.398
bonds (distance) P-C4' energy: -53.001
flat angles C4'-P-C4' energy: -56.973
flat angles P-C4'-P energy: -41.059
tors. eta vs tors. theta energy: -69.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -886.112203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.112203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.112203 (E_RNA)
where:
Base-Base interactions energy: -614.642
where: short stacking energy: -268.035
Base-Backbone interact. energy: -2.591
local terms energy: -268.878595
where:
bonds (distance) C4'-P energy: -45.032
bonds (distance) P-C4' energy: -50.472
flat angles C4'-P-C4' energy: -55.696
flat angles P-C4'-P energy: -40.455
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: 5, replica: 5
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -785.653319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.653319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.653319 (E_RNA)
where:
Base-Base interactions energy: -525.351
where: short stacking energy: -222.823
Base-Backbone interact. energy: 1.276
local terms energy: -261.578403
where:
bonds (distance) C4'-P energy: -49.498
bonds (distance) P-C4' energy: -47.176
flat angles C4'-P-C4' energy: -58.327
flat angles P-C4'-P energy: -42.814
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: 6, replica: 3
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -756.260082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.260082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.260082 (E_RNA)
where:
Base-Base interactions energy: -528.916
where: short stacking energy: -211.523
Base-Backbone interact. energy: -1.072
local terms energy: -226.271662
where:
bonds (distance) C4'-P energy: -48.049
bonds (distance) P-C4' energy: -35.157
flat angles C4'-P-C4' energy: -55.289
flat angles P-C4'-P energy: -32.389
tors. eta vs tors. theta energy: -55.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -765.892170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.892170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.892170 (E_RNA)
where:
Base-Base interactions energy: -525.700
where: short stacking energy: -219.488
Base-Backbone interact. energy: -0.547
local terms energy: -239.645637
where:
bonds (distance) C4'-P energy: -52.672
bonds (distance) P-C4' energy: -38.122
flat angles C4'-P-C4' energy: -51.032
flat angles P-C4'-P energy: -36.548
tors. eta vs tors. theta energy: -61.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -567.111529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.111529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.111529 (E_RNA)
where:
Base-Base interactions energy: -378.170
where: short stacking energy: -137.690
Base-Backbone interact. energy: -0.523
local terms energy: -188.418529
where:
bonds (distance) C4'-P energy: -50.255
bonds (distance) P-C4' energy: -39.047
flat angles C4'-P-C4' energy: -43.205
flat angles P-C4'-P energy: -29.956
tors. eta vs tors. theta energy: -25.956
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: 316
Temperature: 1.300000
Total energy: -554.260690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.260690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.260690 (E_RNA)
where:
Base-Base interactions energy: -361.608
where: short stacking energy: -161.483
Base-Backbone interact. energy: -0.997
local terms energy: -191.655412
where:
bonds (distance) C4'-P energy: -41.339
bonds (distance) P-C4' energy: -47.761
flat angles C4'-P-C4' energy: -40.540
flat angles P-C4'-P energy: -22.656
tors. eta vs tors. theta energy: -39.359
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: 10, replica: 6
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -249.731201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.731201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.731201 (E_RNA)
where:
Base-Base interactions energy: -121.897
where: short stacking energy: -83.388
Base-Backbone interact. energy: 3.698
local terms energy: -131.532971
where:
bonds (distance) C4'-P energy: -49.408
bonds (distance) P-C4' energy: -46.549
flat angles C4'-P-C4' energy: -30.642
flat angles P-C4'-P energy: -17.247
tors. eta vs tors. theta energy: 12.312
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: 2
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -963.425364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.425364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.425364 (E_RNA)
where:
Base-Base interactions energy: -658.970
where: short stacking energy: -273.459
Base-Backbone interact. energy: -0.361
local terms energy: -304.094319
where:
bonds (distance) C4'-P energy: -57.615
bonds (distance) P-C4' energy: -50.920
flat angles C4'-P-C4' energy: -62.112
flat angles P-C4'-P energy: -45.888
tors. eta vs tors. theta energy: -87.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -911.008197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.008197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.008197 (E_RNA)
where:
Base-Base interactions energy: -625.284
where: short stacking energy: -269.705
Base-Backbone interact. energy: 0.390
local terms energy: -286.113890
where:
bonds (distance) C4'-P energy: -51.206
bonds (distance) P-C4' energy: -56.295
flat angles C4'-P-C4' energy: -58.040
flat angles P-C4'-P energy: -38.642
tors. eta vs tors. theta energy: -81.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -879.389460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.389460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.389460 (E_RNA)
where:
Base-Base interactions energy: -596.713
where: short stacking energy: -244.279
Base-Backbone interact. energy: 0.368
local terms energy: -283.044301
where:
bonds (distance) C4'-P energy: -47.629
bonds (distance) P-C4' energy: -54.253
flat angles C4'-P-C4' energy: -55.721
flat angles P-C4'-P energy: -44.280
tors. eta vs tors. theta energy: -81.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -890.738088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.738088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.738088 (E_RNA)
where:
Base-Base interactions energy: -621.824
where: short stacking energy: -256.557
Base-Backbone interact. energy: -1.675
local terms energy: -267.239439
where:
bonds (distance) C4'-P energy: -48.340
bonds (distance) P-C4' energy: -50.678
flat angles C4'-P-C4' energy: -55.572
flat angles P-C4'-P energy: -36.075
tors. eta vs tors. theta energy: -76.573
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: 5
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -813.712744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.712744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.712744 (E_RNA)
where:
Base-Base interactions energy: -552.015
where: short stacking energy: -246.476
Base-Backbone interact. energy: -0.688
local terms energy: -261.009950
where:
bonds (distance) C4'-P energy: -43.836
bonds (distance) P-C4' energy: -51.203
flat angles C4'-P-C4' energy: -55.170
flat angles P-C4'-P energy: -32.553
tors. eta vs tors. theta energy: -78.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -744.584823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.584823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.584823 (E_RNA)
where:
Base-Base interactions energy: -506.753
where: short stacking energy: -193.039
Base-Backbone interact. energy: -0.547
local terms energy: -237.285256
where:
bonds (distance) C4'-P energy: -43.134
bonds (distance) P-C4' energy: -51.209
flat angles C4'-P-C4' energy: -51.020
flat angles P-C4'-P energy: -38.932
tors. eta vs tors. theta energy: -52.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -735.103687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.103687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.103687 (E_RNA)
where:
Base-Base interactions energy: -502.753
where: short stacking energy: -219.057
Base-Backbone interact. energy: 0.110
local terms energy: -232.461245
where:
bonds (distance) C4'-P energy: -46.135
bonds (distance) P-C4' energy: -42.587
flat angles C4'-P-C4' energy: -52.436
flat angles P-C4'-P energy: -30.408
tors. eta vs tors. theta energy: -60.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -540.001425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.001425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.001425 (E_RNA)
where:
Base-Base interactions energy: -342.631
where: short stacking energy: -157.820
Base-Backbone interact. energy: -0.411
local terms energy: -196.959283
where:
bonds (distance) C4'-P energy: -44.217
bonds (distance) P-C4' energy: -39.666
flat angles C4'-P-C4' energy: -49.309
flat angles P-C4'-P energy: -30.505
tors. eta vs tors. theta energy: -33.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -561.798402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.798402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.798402 (E_RNA)
where:
Base-Base interactions energy: -366.542
where: short stacking energy: -158.223
Base-Backbone interact. energy: -0.800
local terms energy: -194.456238
where:
bonds (distance) C4'-P energy: -41.401
bonds (distance) P-C4' energy: -29.035
flat angles C4'-P-C4' energy: -56.981
flat angles P-C4'-P energy: -29.315
tors. eta vs tors. theta energy: -37.725
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: 6
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -254.576151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.576151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.576151 (E_RNA)
where:
Base-Base interactions energy: -114.993
where: short stacking energy: -78.104
Base-Backbone interact. energy: -1.573
local terms energy: -138.009258
where:
bonds (distance) C4'-P energy: -46.356
bonds (distance) P-C4' energy: -53.296
flat angles C4'-P-C4' energy: -30.918
flat angles P-C4'-P energy: -13.367
tors. eta vs tors. theta energy: 5.928
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: 1, replica: 1
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -952.821472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.821472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.821472 (E_RNA)
where:
Base-Base interactions energy: -652.572
where: short stacking energy: -295.705
Base-Backbone interact. energy: -0.427
local terms energy: -299.822544
where:
bonds (distance) C4'-P energy: -53.342
bonds (distance) P-C4' energy: -54.000
flat angles C4'-P-C4' energy: -62.720
flat angles P-C4'-P energy: -42.151
tors. eta vs tors. theta energy: -87.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -942.700565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.700565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.700565 (E_RNA)
where:
Base-Base interactions energy: -659.611
where: short stacking energy: -271.370
Base-Backbone interact. energy: -0.551
local terms energy: -282.537928
where:
bonds (distance) C4'-P energy: -55.484
bonds (distance) P-C4' energy: -49.027
flat angles C4'-P-C4' energy: -53.925
flat angles P-C4'-P energy: -40.696
tors. eta vs tors. theta energy: -83.405
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: 8
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -904.314880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.314880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.314880 (E_RNA)
where:
Base-Base interactions energy: -630.596
where: short stacking energy: -258.351
Base-Backbone interact. energy: -0.781
local terms energy: -272.937659
where:
bonds (distance) C4'-P energy: -46.552
bonds (distance) P-C4' energy: -52.590
flat angles C4'-P-C4' energy: -58.920
flat angles P-C4'-P energy: -40.576
tors. eta vs tors. theta energy: -74.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -864.798428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.798428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.798428 (E_RNA)
where:
Base-Base interactions energy: -584.266
where: short stacking energy: -248.679
Base-Backbone interact. energy: -1.278
local terms energy: -279.254422
where:
bonds (distance) C4'-P energy: -51.081
bonds (distance) P-C4' energy: -49.587
flat angles C4'-P-C4' energy: -60.437
flat angles P-C4'-P energy: -39.602
tors. eta vs tors. theta energy: -78.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -818.438397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.438397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.438397 (E_RNA)
where:
Base-Base interactions energy: -561.040
where: short stacking energy: -230.327
Base-Backbone interact. energy: -0.605
local terms energy: -256.792841
where:
bonds (distance) C4'-P energy: -53.227
bonds (distance) P-C4' energy: -53.557
flat angles C4'-P-C4' energy: -57.791
flat angles P-C4'-P energy: -33.360
tors. eta vs tors. theta energy: -58.857
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: 3
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -714.532883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.532883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.532883 (E_RNA)
where:
Base-Base interactions energy: -486.388
where: short stacking energy: -189.428
Base-Backbone interact. energy: -0.929
local terms energy: -227.216762
where:
bonds (distance) C4'-P energy: -41.543
bonds (distance) P-C4' energy: -52.861
flat angles C4'-P-C4' energy: -50.287
flat angles P-C4'-P energy: -35.743
tors. eta vs tors. theta energy: -46.782
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: 10
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -740.896385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.896385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.896385 (E_RNA)
where:
Base-Base interactions energy: -511.289
where: short stacking energy: -221.373
Base-Backbone interact. energy: 0.170
local terms energy: -229.777744
where:
bonds (distance) C4'-P energy: -45.201
bonds (distance) P-C4' energy: -48.184
flat angles C4'-P-C4' energy: -46.333
flat angles P-C4'-P energy: -29.859
tors. eta vs tors. theta energy: -60.201
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: 8, replica: 9
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -564.085488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.085488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.085488 (E_RNA)
where:
Base-Base interactions energy: -365.067
where: short stacking energy: -166.898
Base-Backbone interact. energy: 0.966
local terms energy: -199.984938
where:
bonds (distance) C4'-P energy: -42.217
bonds (distance) P-C4' energy: -38.259
flat angles C4'-P-C4' energy: -50.818
flat angles P-C4'-P energy: -24.558
tors. eta vs tors. theta energy: -44.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -521.699635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.699635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.699635 (E_RNA)
where:
Base-Base interactions energy: -335.267
where: short stacking energy: -160.636
Base-Backbone interact. energy: -0.529
local terms energy: -185.902908
where:
bonds (distance) C4'-P energy: -31.400
bonds (distance) P-C4' energy: -45.745
flat angles C4'-P-C4' energy: -37.191
flat angles P-C4'-P energy: -33.960
tors. eta vs tors. theta energy: -37.608
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: 10, replica: 6
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -266.268667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.268667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.268667 (E_RNA)
where:
Base-Base interactions energy: -122.595
where: short stacking energy: -74.470
Base-Backbone interact. energy: 1.194
local terms energy: -144.867705
where:
bonds (distance) C4'-P energy: -38.575
bonds (distance) P-C4' energy: -43.943
flat angles C4'-P-C4' energy: -34.548
flat angles P-C4'-P energy: -21.201
tors. eta vs tors. theta energy: -6.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -950.420354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.420354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.420354 (E_RNA)
where:
Base-Base interactions energy: -667.392
where: short stacking energy: -290.962
Base-Backbone interact. energy: -2.163
local terms energy: -280.865625
where:
bonds (distance) C4'-P energy: -59.645
bonds (distance) P-C4' energy: -43.084
flat angles C4'-P-C4' energy: -52.839
flat angles P-C4'-P energy: -34.196
tors. eta vs tors. theta energy: -91.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -957.859340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.859340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.859340 (E_RNA)
where:
Base-Base interactions energy: -659.401
where: short stacking energy: -285.022
Base-Backbone interact. energy: -1.099
local terms energy: -297.359729
where:
bonds (distance) C4'-P energy: -53.889
bonds (distance) P-C4' energy: -53.583
flat angles C4'-P-C4' energy: -55.875
flat angles P-C4'-P energy: -39.548
tors. eta vs tors. theta energy: -94.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -908.865140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.865140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.865140 (E_RNA)
where:
Base-Base interactions energy: -628.842
where: short stacking energy: -268.099
Base-Backbone interact. energy: -1.424
local terms energy: -278.598863
where:
bonds (distance) C4'-P energy: -41.421
bonds (distance) P-C4' energy: -56.863
flat angles C4'-P-C4' energy: -55.517
flat angles P-C4'-P energy: -35.952
tors. eta vs tors. theta energy: -88.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -851.270816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.270816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.270816 (E_RNA)
where:
Base-Base interactions energy: -581.439
where: short stacking energy: -250.396
Base-Backbone interact. energy: -0.738
local terms energy: -269.094333
where:
bonds (distance) C4'-P energy: -53.097
bonds (distance) P-C4' energy: -44.585
flat angles C4'-P-C4' energy: -58.129
flat angles P-C4'-P energy: -43.727
tors. eta vs tors. theta energy: -69.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -809.159357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.159357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.159357 (E_RNA)
where:
Base-Base interactions energy: -555.744
where: short stacking energy: -230.133
Base-Backbone interact. energy: 0.428
local terms energy: -253.844212
where:
bonds (distance) C4'-P energy: -48.292
bonds (distance) P-C4' energy: -46.850
flat angles C4'-P-C4' energy: -50.294
flat angles P-C4'-P energy: -39.290
tors. eta vs tors. theta energy: -69.118
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: 6, replica: 10
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -735.285438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.285438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.285438 (E_RNA)
where:
Base-Base interactions energy: -506.752
where: short stacking energy: -222.182
Base-Backbone interact. energy: -2.790
local terms energy: -225.744124
where:
bonds (distance) C4'-P energy: -44.599
bonds (distance) P-C4' energy: -52.203
flat angles C4'-P-C4' energy: -42.283
flat angles P-C4'-P energy: -35.360
tors. eta vs tors. theta energy: -51.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -664.163852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.163852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.163852 (E_RNA)
where:
Base-Base interactions energy: -446.192
where: short stacking energy: -186.724
Base-Backbone interact. energy: -0.557
local terms energy: -217.414157
where:
bonds (distance) C4'-P energy: -47.239
bonds (distance) P-C4' energy: -53.583
flat angles C4'-P-C4' energy: -43.624
flat angles P-C4'-P energy: -33.778
tors. eta vs tors. theta energy: -39.191
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: 9
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -534.320324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.320324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.320324 (E_RNA)
where:
Base-Base interactions energy: -337.426
where: short stacking energy: -145.280
Base-Backbone interact. energy: -1.693
local terms energy: -195.201401
where:
bonds (distance) C4'-P energy: -34.962
bonds (distance) P-C4' energy: -50.838
flat angles C4'-P-C4' energy: -52.598
flat angles P-C4'-P energy: -28.289
tors. eta vs tors. theta energy: -28.515
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: 7
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -480.935177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.935177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.935177 (E_RNA)
where:
Base-Base interactions energy: -297.899
where: short stacking energy: -146.175
Base-Backbone interact. energy: -1.871
local terms energy: -181.165028
where:
bonds (distance) C4'-P energy: -27.622
bonds (distance) P-C4' energy: -43.464
flat angles C4'-P-C4' energy: -47.052
flat angles P-C4'-P energy: -37.475
tors. eta vs tors. theta energy: -25.551
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: 6
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -212.895881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.895881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.895881 (E_RNA)
where:
Base-Base interactions energy: -79.538
where: short stacking energy: -58.885
Base-Backbone interact. energy: 0.361
local terms energy: -133.718741
where:
bonds (distance) C4'-P energy: -38.525
bonds (distance) P-C4' energy: -46.385
flat angles C4'-P-C4' energy: -32.614
flat angles P-C4'-P energy: -20.701
tors. eta vs tors. theta energy: 4.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -952.184764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.184764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.184764 (E_RNA)
where:
Base-Base interactions energy: -666.350
where: short stacking energy: -296.961
Base-Backbone interact. energy: -1.297
local terms energy: -284.537316
where:
bonds (distance) C4'-P energy: -50.584
bonds (distance) P-C4' energy: -50.484
flat angles C4'-P-C4' energy: -50.143
flat angles P-C4'-P energy: -46.228
tors. eta vs tors. theta energy: -87.099
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: 8
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -948.057622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.057622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.057622 (E_RNA)
where:
Base-Base interactions energy: -653.280
where: short stacking energy: -288.998
Base-Backbone interact. energy: -0.761
local terms energy: -294.015753
where:
bonds (distance) C4'-P energy: -55.569
bonds (distance) P-C4' energy: -57.214
flat angles C4'-P-C4' energy: -56.439
flat angles P-C4'-P energy: -41.966
tors. eta vs tors. theta energy: -82.827
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: 320
Temperature: 1.000000
Total energy: -926.630624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.630624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.630624 (E_RNA)
where:
Base-Base interactions energy: -644.035
where: short stacking energy: -268.294
Base-Backbone interact. energy: -0.771
local terms energy: -281.824494
where:
bonds (distance) C4'-P energy: -58.550
bonds (distance) P-C4' energy: -43.683
flat angles C4'-P-C4' energy: -54.773
flat angles P-C4'-P energy: -38.108
tors. eta vs tors. theta energy: -86.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -825.033122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.033122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.033122 (E_RNA)
where:
Base-Base interactions energy: -568.391
where: short stacking energy: -225.612
Base-Backbone interact. energy: 0.954
local terms energy: -257.595720
where:
bonds (distance) C4'-P energy: -55.046
bonds (distance) P-C4' energy: -53.242
flat angles C4'-P-C4' energy: -55.463
flat angles P-C4'-P energy: -29.898
tors. eta vs tors. theta energy: -63.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -799.508097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.508097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.508097 (E_RNA)
where:
Base-Base interactions energy: -545.980
where: short stacking energy: -235.734
Base-Backbone interact. energy: -0.816
local terms energy: -252.712331
where:
bonds (distance) C4'-P energy: -54.009
bonds (distance) P-C4' energy: -36.937
flat angles C4'-P-C4' energy: -50.486
flat angles P-C4'-P energy: -47.863
tors. eta vs tors. theta energy: -63.417
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: 10
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -770.974607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.974607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.974607 (E_RNA)
where:
Base-Base interactions energy: -527.263
where: short stacking energy: -227.649
Base-Backbone interact. energy: 0.350
local terms energy: -244.061257
where:
bonds (distance) C4'-P energy: -47.404
bonds (distance) P-C4' energy: -49.673
flat angles C4'-P-C4' energy: -46.422
flat angles P-C4'-P energy: -33.344
tors. eta vs tors. theta energy: -67.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -675.114904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.114904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.114904 (E_RNA)
where:
Base-Base interactions energy: -447.171
where: short stacking energy: -204.665
Base-Backbone interact. energy: -1.437
local terms energy: -226.506469
where:
bonds (distance) C4'-P energy: -37.954
bonds (distance) P-C4' energy: -45.595
flat angles C4'-P-C4' energy: -47.764
flat angles P-C4'-P energy: -39.818
tors. eta vs tors. theta energy: -55.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -545.253274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.253274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.253274 (E_RNA)
where:
Base-Base interactions energy: -358.849
where: short stacking energy: -153.912
Base-Backbone interact. energy: -0.584
local terms energy: -185.819917
where:
bonds (distance) C4'-P energy: -41.416
bonds (distance) P-C4' energy: -42.308
flat angles C4'-P-C4' energy: -42.001
flat angles P-C4'-P energy: -23.667
tors. eta vs tors. theta energy: -36.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -481.452898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.452898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.452898 (E_RNA)
where:
Base-Base interactions energy: -309.067
where: short stacking energy: -130.967
Base-Backbone interact. energy: -0.062
local terms energy: -172.324289
where:
bonds (distance) C4'-P energy: -35.821
bonds (distance) P-C4' energy: -42.045
flat angles C4'-P-C4' energy: -46.592
flat angles P-C4'-P energy: -30.659
tors. eta vs tors. theta energy: -17.207
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: 6
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -209.072643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.072643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.072643 (E_RNA)
where:
Base-Base interactions energy: -61.708
where: short stacking energy: -54.893
Base-Backbone interact. energy: 1.015
local terms energy: -148.379547
where:
bonds (distance) C4'-P energy: -42.890
bonds (distance) P-C4' energy: -41.612
flat angles C4'-P-C4' energy: -45.075
flat angles P-C4'-P energy: -31.942
tors. eta vs tors. theta energy: 13.140
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: 321
Temperature: 0.900000
Total energy: -935.038617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.038617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.038617 (E_RNA)
where:
Base-Base interactions energy: -643.338
where: short stacking energy: -282.014
Base-Backbone interact. energy: -0.446
local terms energy: -291.254453
where:
bonds (distance) C4'-P energy: -50.106
bonds (distance) P-C4' energy: -52.763
flat angles C4'-P-C4' energy: -60.701
flat angles P-C4'-P energy: -41.422
tors. eta vs tors. theta energy: -86.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -934.836665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.836665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.836665 (E_RNA)
where:
Base-Base interactions energy: -663.306
where: short stacking energy: -288.768
Base-Backbone interact. energy: -1.012
local terms energy: -270.518925
where:
bonds (distance) C4'-P energy: -43.034
bonds (distance) P-C4' energy: -58.473
flat angles C4'-P-C4' energy: -53.257
flat angles P-C4'-P energy: -34.577
tors. eta vs tors. theta energy: -81.178
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: 321
Temperature: 1.000000
Total energy: -917.222660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.222660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.222660 (E_RNA)
where:
Base-Base interactions energy: -631.642
where: short stacking energy: -265.742
Base-Backbone interact. energy: -1.033
local terms energy: -284.547723
where:
bonds (distance) C4'-P energy: -51.656
bonds (distance) P-C4' energy: -45.397
flat angles C4'-P-C4' energy: -58.686
flat angles P-C4'-P energy: -41.066
tors. eta vs tors. theta energy: -87.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -849.857788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.857788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.857788 (E_RNA)
where:
Base-Base interactions energy: -586.194
where: short stacking energy: -242.518
Base-Backbone interact. energy: -0.126
local terms energy: -263.538044
where:
bonds (distance) C4'-P energy: -41.158
bonds (distance) P-C4' energy: -43.058
flat angles C4'-P-C4' energy: -60.072
flat angles P-C4'-P energy: -43.499
tors. eta vs tors. theta energy: -75.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -779.225098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.225098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.225098 (E_RNA)
where:
Base-Base interactions energy: -542.239
where: short stacking energy: -220.315
Base-Backbone interact. energy: -0.961
local terms energy: -236.025723
where:
bonds (distance) C4'-P energy: -34.120
bonds (distance) P-C4' energy: -47.539
flat angles C4'-P-C4' energy: -54.643
flat angles P-C4'-P energy: -38.845
tors. eta vs tors. theta energy: -60.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -805.667963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.667963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.667963 (E_RNA)
where:
Base-Base interactions energy: -569.452
where: short stacking energy: -240.359
Base-Backbone interact. energy: -1.300
local terms energy: -234.915944
where:
bonds (distance) C4'-P energy: -45.985
bonds (distance) P-C4' energy: -40.023
flat angles C4'-P-C4' energy: -51.462
flat angles P-C4'-P energy: -27.559
tors. eta vs tors. theta energy: -69.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -712.128030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.128030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.128030 (E_RNA)
where:
Base-Base interactions energy: -474.868
where: short stacking energy: -199.041
Base-Backbone interact. energy: -1.038
local terms energy: -236.222433
where:
bonds (distance) C4'-P energy: -52.479
bonds (distance) P-C4' energy: -43.089
flat angles C4'-P-C4' energy: -50.465
flat angles P-C4'-P energy: -37.117
tors. eta vs tors. theta energy: -53.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -518.174059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.174059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.174059 (E_RNA)
where:
Base-Base interactions energy: -322.735
where: short stacking energy: -167.880
Base-Backbone interact. energy: -0.482
local terms energy: -194.957261
where:
bonds (distance) C4'-P energy: -44.718
bonds (distance) P-C4' energy: -33.291
flat angles C4'-P-C4' energy: -39.242
flat angles P-C4'-P energy: -35.903
tors. eta vs tors. theta energy: -41.803
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: 321
Temperature: 1.300000
Total energy: -574.186175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.186175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.186175 (E_RNA)
where:
Base-Base interactions energy: -370.500
where: short stacking energy: -162.792
Base-Backbone interact. energy: 0.964
local terms energy: -204.649520
where:
bonds (distance) C4'-P energy: -50.952
bonds (distance) P-C4' energy: -43.364
flat angles C4'-P-C4' energy: -48.311
flat angles P-C4'-P energy: -31.039
tors. eta vs tors. theta energy: -30.984
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: 6
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -239.931889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.931889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.931889 (E_RNA)
where:
Base-Base interactions energy: -89.639
where: short stacking energy: -72.286
Base-Backbone interact. energy: 2.809
local terms energy: -153.101959
where:
bonds (distance) C4'-P energy: -45.205
bonds (distance) P-C4' energy: -50.504
flat angles C4'-P-C4' energy: -25.176
flat angles P-C4'-P energy: -23.883
tors. eta vs tors. theta energy: -8.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -958.659054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.659054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.659054 (E_RNA)
where:
Base-Base interactions energy: -672.445
where: short stacking energy: -288.797
Base-Backbone interact. energy: -1.980
local terms energy: -284.234095
where:
bonds (distance) C4'-P energy: -41.123
bonds (distance) P-C4' energy: -49.381
flat angles C4'-P-C4' energy: -62.981
flat angles P-C4'-P energy: -44.713
tors. eta vs tors. theta energy: -86.036
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: 2, replica: 1
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -935.935219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.935219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.935219 (E_RNA)
where:
Base-Base interactions energy: -645.886
where: short stacking energy: -268.902
Base-Backbone interact. energy: -0.535
local terms energy: -289.514675
where:
bonds (distance) C4'-P energy: -49.183
bonds (distance) P-C4' energy: -45.821
flat angles C4'-P-C4' energy: -66.901
flat angles P-C4'-P energy: -46.252
tors. eta vs tors. theta energy: -81.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -875.702566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.702566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.702566 (E_RNA)
where:
Base-Base interactions energy: -618.223
where: short stacking energy: -262.661
Base-Backbone interact. energy: -0.523
local terms energy: -256.955887
where:
bonds (distance) C4'-P energy: -51.373
bonds (distance) P-C4' energy: -44.792
flat angles C4'-P-C4' energy: -50.485
flat angles P-C4'-P energy: -38.929
tors. eta vs tors. theta energy: -71.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -904.015898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.015898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.015898 (E_RNA)
where:
Base-Base interactions energy: -621.795
where: short stacking energy: -262.329
Base-Backbone interact. energy: -0.986
local terms energy: -281.235433
where:
bonds (distance) C4'-P energy: -51.569
bonds (distance) P-C4' energy: -52.472
flat angles C4'-P-C4' energy: -53.403
flat angles P-C4'-P energy: -43.402
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: 5, replica: 10
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -827.106652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.106652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.106652 (E_RNA)
where:
Base-Base interactions energy: -572.919
where: short stacking energy: -234.238
Base-Backbone interact. energy: 0.628
local terms energy: -254.815927
where:
bonds (distance) C4'-P energy: -40.022
bonds (distance) P-C4' energy: -48.420
flat angles C4'-P-C4' energy: -60.010
flat angles P-C4'-P energy: -39.061
tors. eta vs tors. theta energy: -67.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -795.423294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.423294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.423294 (E_RNA)
where:
Base-Base interactions energy: -545.233
where: short stacking energy: -232.176
Base-Backbone interact. energy: 1.841
local terms energy: -252.030749
where:
bonds (distance) C4'-P energy: -51.640
bonds (distance) P-C4' energy: -42.490
flat angles C4'-P-C4' energy: -57.134
flat angles P-C4'-P energy: -39.395
tors. eta vs tors. theta energy: -61.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -725.631722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.631722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.631722 (E_RNA)
where:
Base-Base interactions energy: -493.214
where: short stacking energy: -197.701
Base-Backbone interact. energy: -0.349
local terms energy: -232.068043
where:
bonds (distance) C4'-P energy: -51.941
bonds (distance) P-C4' energy: -50.368
flat angles C4'-P-C4' energy: -51.444
flat angles P-C4'-P energy: -27.417
tors. eta vs tors. theta energy: -50.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -489.761323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.761323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.761323 (E_RNA)
where:
Base-Base interactions energy: -299.423
where: short stacking energy: -123.506
Base-Backbone interact. energy: -0.658
local terms energy: -189.679655
where:
bonds (distance) C4'-P energy: -35.278
bonds (distance) P-C4' energy: -58.093
flat angles C4'-P-C4' energy: -45.191
flat angles P-C4'-P energy: -31.713
tors. eta vs tors. theta energy: -19.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -531.153388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.153388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.153388 (E_RNA)
where:
Base-Base interactions energy: -355.798
where: short stacking energy: -150.286
Base-Backbone interact. energy: -2.346
local terms energy: -173.009269
where:
bonds (distance) C4'-P energy: -41.162
bonds (distance) P-C4' energy: -42.572
flat angles C4'-P-C4' energy: -39.424
flat angles P-C4'-P energy: -22.539
tors. eta vs tors. theta energy: -27.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -223.974664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.974664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.974664 (E_RNA)
where:
Base-Base interactions energy: -71.181
where: short stacking energy: -59.591
Base-Backbone interact. energy: -0.614
local terms energy: -152.180542
where:
bonds (distance) C4'-P energy: -57.209
bonds (distance) P-C4' energy: -52.569
flat angles C4'-P-C4' energy: -30.034
flat angles P-C4'-P energy: -24.850
tors. eta vs tors. theta energy: 12.482
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: 8
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -958.049450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.049450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.049450 (E_RNA)
where:
Base-Base interactions energy: -651.387
where: short stacking energy: -293.627
Base-Backbone interact. energy: 0.204
local terms energy: -306.866877
where:
bonds (distance) C4'-P energy: -54.739
bonds (distance) P-C4' energy: -58.047
flat angles C4'-P-C4' energy: -61.884
flat angles P-C4'-P energy: -44.782
tors. eta vs tors. theta energy: -87.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -904.048262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.048262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.048262 (E_RNA)
where:
Base-Base interactions energy: -626.053
where: short stacking energy: -267.707
Base-Backbone interact. energy: -0.670
local terms energy: -277.325429
where:
bonds (distance) C4'-P energy: -46.470
bonds (distance) P-C4' energy: -50.160
flat angles C4'-P-C4' energy: -62.799
flat angles P-C4'-P energy: -48.076
tors. eta vs tors. theta energy: -69.821
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: 3, replica: 1
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -920.084290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.084290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.084290 (E_RNA)
where:
Base-Base interactions energy: -639.454
where: short stacking energy: -279.171
Base-Backbone interact. energy: -1.829
local terms energy: -278.801164
where:
bonds (distance) C4'-P energy: -47.419
bonds (distance) P-C4' energy: -47.468
flat angles C4'-P-C4' energy: -59.530
flat angles P-C4'-P energy: -38.414
tors. eta vs tors. theta energy: -85.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -884.493584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.493584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.493584 (E_RNA)
where:
Base-Base interactions energy: -622.663
where: short stacking energy: -252.043
Base-Backbone interact. energy: 0.785
local terms energy: -262.615642
where:
bonds (distance) C4'-P energy: -47.369
bonds (distance) P-C4' energy: -52.623
flat angles C4'-P-C4' energy: -54.496
flat angles P-C4'-P energy: -34.846
tors. eta vs tors. theta energy: -73.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -823.776733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.776733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.776733 (E_RNA)
where:
Base-Base interactions energy: -557.453
where: short stacking energy: -240.663
Base-Backbone interact. energy: -1.527
local terms energy: -264.796681
where:
bonds (distance) C4'-P energy: -52.404
bonds (distance) P-C4' energy: -52.152
flat angles C4'-P-C4' energy: -58.356
flat angles P-C4'-P energy: -35.952
tors. eta vs tors. theta energy: -65.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -793.030331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.030331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.030331 (E_RNA)
where:
Base-Base interactions energy: -551.563
where: short stacking energy: -227.258
Base-Backbone interact. energy: -0.558
local terms energy: -240.909845
where:
bonds (distance) C4'-P energy: -45.842
bonds (distance) P-C4' energy: -48.815
flat angles C4'-P-C4' energy: -51.809
flat angles P-C4'-P energy: -33.858
tors. eta vs tors. theta energy: -60.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -738.222864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.222864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.222864 (E_RNA)
where:
Base-Base interactions energy: -510.841
where: short stacking energy: -221.234
Base-Backbone interact. energy: -1.274
local terms energy: -226.107360
where:
bonds (distance) C4'-P energy: -48.881
bonds (distance) P-C4' energy: -36.380
flat angles C4'-P-C4' energy: -54.916
flat angles P-C4'-P energy: -29.873
tors. eta vs tors. theta energy: -56.058
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: 9
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -602.907352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.907352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.907352 (E_RNA)
where:
Base-Base interactions energy: -393.865
where: short stacking energy: -169.889
Base-Backbone interact. energy: -0.363
local terms energy: -208.679036
where:
bonds (distance) C4'-P energy: -36.658
bonds (distance) P-C4' energy: -55.826
flat angles C4'-P-C4' energy: -45.971
flat angles P-C4'-P energy: -29.859
tors. eta vs tors. theta energy: -40.365
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: 7
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -481.244142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.244142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.244142 (E_RNA)
where:
Base-Base interactions energy: -296.268
where: short stacking energy: -125.479
Base-Backbone interact. energy: -1.321
local terms energy: -183.655184
where:
bonds (distance) C4'-P energy: -42.419
bonds (distance) P-C4' energy: -44.503
flat angles C4'-P-C4' energy: -38.780
flat angles P-C4'-P energy: -36.542
tors. eta vs tors. theta energy: -21.410
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: 6
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -228.420652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.420652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.420652 (E_RNA)
where:
Base-Base interactions energy: -73.196
where: short stacking energy: -71.950
Base-Backbone interact. energy: -0.390
local terms energy: -154.834251
where:
bonds (distance) C4'-P energy: -45.873
bonds (distance) P-C4' energy: -43.795
flat angles C4'-P-C4' energy: -31.034
flat angles P-C4'-P energy: -21.856
tors. eta vs tors. theta energy: -12.277
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: 8
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -969.275542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.275542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.275542 (E_RNA)
where:
Base-Base interactions energy: -669.017
where: short stacking energy: -282.323
Base-Backbone interact. energy: -1.839
local terms energy: -298.419219
where:
bonds (distance) C4'-P energy: -55.390
bonds (distance) P-C4' energy: -50.769
flat angles C4'-P-C4' energy: -62.226
flat angles P-C4'-P energy: -45.457
tors. eta vs tors. theta energy: -84.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -924.921063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.921063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.921063 (E_RNA)
where:
Base-Base interactions energy: -643.547
where: short stacking energy: -290.902
Base-Backbone interact. energy: -1.485
local terms energy: -279.888152
where:
bonds (distance) C4'-P energy: -50.045
bonds (distance) P-C4' energy: -53.312
flat angles C4'-P-C4' energy: -56.116
flat angles P-C4'-P energy: -39.996
tors. eta vs tors. theta energy: -80.420
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: 1
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -917.885649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.885649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.885649 (E_RNA)
where:
Base-Base interactions energy: -651.465
where: short stacking energy: -279.062
Base-Backbone interact. energy: -1.358
local terms energy: -265.063417
where:
bonds (distance) C4'-P energy: -40.914
bonds (distance) P-C4' energy: -46.593
flat angles C4'-P-C4' energy: -55.268
flat angles P-C4'-P energy: -40.738
tors. eta vs tors. theta energy: -81.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -897.038431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.038431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.038431 (E_RNA)
where:
Base-Base interactions energy: -626.262
where: short stacking energy: -273.764
Base-Backbone interact. energy: 1.866
local terms energy: -272.642735
where:
bonds (distance) C4'-P energy: -48.535
bonds (distance) P-C4' energy: -48.405
flat angles C4'-P-C4' energy: -58.022
flat angles P-C4'-P energy: -36.581
tors. eta vs tors. theta energy: -81.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -797.251958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.251958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.251958 (E_RNA)
where:
Base-Base interactions energy: -558.536
where: short stacking energy: -246.843
Base-Backbone interact. energy: -1.309
local terms energy: -237.406748
where:
bonds (distance) C4'-P energy: -51.977
bonds (distance) P-C4' energy: -35.576
flat angles C4'-P-C4' energy: -55.667
flat angles P-C4'-P energy: -36.897
tors. eta vs tors. theta energy: -57.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -775.753041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.753041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.753041 (E_RNA)
where:
Base-Base interactions energy: -514.839
where: short stacking energy: -214.662
Base-Backbone interact. energy: -1.002
local terms energy: -259.912083
where:
bonds (distance) C4'-P energy: -48.893
bonds (distance) P-C4' energy: -55.758
flat angles C4'-P-C4' energy: -55.737
flat angles P-C4'-P energy: -36.902
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: 7, replica: 3
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -723.965198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.965198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.965198 (E_RNA)
where:
Base-Base interactions energy: -488.240
where: short stacking energy: -211.045
Base-Backbone interact. energy: -0.013
local terms energy: -235.711477
where:
bonds (distance) C4'-P energy: -45.337
bonds (distance) P-C4' energy: -47.673
flat angles C4'-P-C4' energy: -50.287
flat angles P-C4'-P energy: -26.217
tors. eta vs tors. theta energy: -66.197
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: 9
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -593.563802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.563802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.563802 (E_RNA)
where:
Base-Base interactions energy: -390.866
where: short stacking energy: -182.386
Base-Backbone interact. energy: -0.984
local terms energy: -201.713930
where:
bonds (distance) C4'-P energy: -43.663
bonds (distance) P-C4' energy: -43.275
flat angles C4'-P-C4' energy: -40.244
flat angles P-C4'-P energy: -30.326
tors. eta vs tors. theta energy: -44.206
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: 7
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -533.392379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.392379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.392379 (E_RNA)
where:
Base-Base interactions energy: -338.184
where: short stacking energy: -140.221
Base-Backbone interact. energy: -1.231
local terms energy: -193.978150
where:
bonds (distance) C4'-P energy: -40.710
bonds (distance) P-C4' energy: -40.430
flat angles C4'-P-C4' energy: -49.662
flat angles P-C4'-P energy: -37.734
tors. eta vs tors. theta energy: -25.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -262.498692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.498692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.498692 (E_RNA)
where:
Base-Base interactions energy: -120.613
where: short stacking energy: -103.863
Base-Backbone interact. energy: 2.854
local terms energy: -144.739676
where:
bonds (distance) C4'-P energy: -35.215
bonds (distance) P-C4' energy: -35.674
flat angles C4'-P-C4' energy: -37.548
flat angles P-C4'-P energy: -27.929
tors. eta vs tors. theta energy: -8.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -971.994173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.994173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.994173 (E_RNA)
where:
Base-Base interactions energy: -676.729
where: short stacking energy: -281.685
Base-Backbone interact. energy: 0.546
local terms energy: -295.811702
where:
bonds (distance) C4'-P energy: -54.263
bonds (distance) P-C4' energy: -48.351
flat angles C4'-P-C4' energy: -59.860
flat angles P-C4'-P energy: -43.029
tors. eta vs tors. theta energy: -90.308
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: 4
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -914.620874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.620874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.620874 (E_RNA)
where:
Base-Base interactions energy: -634.728
where: short stacking energy: -263.525
Base-Backbone interact. energy: -0.552
local terms energy: -279.341544
where:
bonds (distance) C4'-P energy: -44.402
bonds (distance) P-C4' energy: -57.391
flat angles C4'-P-C4' energy: -54.102
flat angles P-C4'-P energy: -41.845
tors. eta vs tors. theta energy: -81.602
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: 1
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -924.568133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.568133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.568133 (E_RNA)
where:
Base-Base interactions energy: -639.547
where: short stacking energy: -275.700
Base-Backbone interact. energy: -1.492
local terms energy: -283.529791
where:
bonds (distance) C4'-P energy: -43.840
bonds (distance) P-C4' energy: -55.950
flat angles C4'-P-C4' energy: -62.915
flat angles P-C4'-P energy: -42.730
tors. eta vs tors. theta energy: -78.095
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: 2
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -862.256260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.256260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.256260 (E_RNA)
where:
Base-Base interactions energy: -597.334
where: short stacking energy: -254.548
Base-Backbone interact. energy: -1.196
local terms energy: -263.726040
where:
bonds (distance) C4'-P energy: -36.375
bonds (distance) P-C4' energy: -56.808
flat angles C4'-P-C4' energy: -59.066
flat angles P-C4'-P energy: -38.741
tors. eta vs tors. theta energy: -72.736
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: 5
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -800.443301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.443301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.443301 (E_RNA)
where:
Base-Base interactions energy: -552.098
where: short stacking energy: -236.178
Base-Backbone interact. energy: -0.394
local terms energy: -247.951970
where:
bonds (distance) C4'-P energy: -39.804
bonds (distance) P-C4' energy: -46.750
flat angles C4'-P-C4' energy: -55.706
flat angles P-C4'-P energy: -41.025
tors. eta vs tors. theta energy: -64.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -769.484930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.484930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.484930 (E_RNA)
where:
Base-Base interactions energy: -533.100
where: short stacking energy: -222.607
Base-Backbone interact. energy: -1.078
local terms energy: -235.306612
where:
bonds (distance) C4'-P energy: -37.623
bonds (distance) P-C4' energy: -45.916
flat angles C4'-P-C4' energy: -52.780
flat angles P-C4'-P energy: -37.326
tors. eta vs tors. theta energy: -61.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -721.672243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.672243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.672243 (E_RNA)
where:
Base-Base interactions energy: -494.192
where: short stacking energy: -201.454
Base-Backbone interact. energy: 2.530
local terms energy: -230.010197
where:
bonds (distance) C4'-P energy: -43.169
bonds (distance) P-C4' energy: -49.018
flat angles C4'-P-C4' energy: -49.159
flat angles P-C4'-P energy: -36.464
tors. eta vs tors. theta energy: -52.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -608.658676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.658676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.658676 (E_RNA)
where:
Base-Base interactions energy: -402.476
where: short stacking energy: -165.192
Base-Backbone interact. energy: -1.173
local terms energy: -205.009370
where:
bonds (distance) C4'-P energy: -39.992
bonds (distance) P-C4' energy: -53.598
flat angles C4'-P-C4' energy: -45.218
flat angles P-C4'-P energy: -28.477
tors. eta vs tors. theta energy: -37.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -512.262022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.262022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.262022 (E_RNA)
where:
Base-Base interactions energy: -338.020
where: short stacking energy: -148.448
Base-Backbone interact. energy: -0.678
local terms energy: -173.563532
where:
bonds (distance) C4'-P energy: -32.264
bonds (distance) P-C4' energy: -37.599
flat angles C4'-P-C4' energy: -43.679
flat angles P-C4'-P energy: -23.358
tors. eta vs tors. theta energy: -36.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -236.802923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.802923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.802923 (E_RNA)
where:
Base-Base interactions energy: -95.629
where: short stacking energy: -67.979
Base-Backbone interact. energy: -1.865
local terms energy: -139.308418
where:
bonds (distance) C4'-P energy: -40.767
bonds (distance) P-C4' energy: -51.749
flat angles C4'-P-C4' energy: -27.004
flat angles P-C4'-P energy: -27.284
tors. eta vs tors. theta energy: 7.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -964.612753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.612753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.612753 (E_RNA)
where:
Base-Base interactions energy: -665.452
where: short stacking energy: -285.256
Base-Backbone interact. energy: -1.998
local terms energy: -297.162488
where:
bonds (distance) C4'-P energy: -52.737
bonds (distance) P-C4' energy: -53.420
flat angles C4'-P-C4' energy: -61.229
flat angles P-C4'-P energy: -42.004
tors. eta vs tors. theta energy: -87.773
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: 2, replica: 4
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -895.048911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.048911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.048911 (E_RNA)
where:
Base-Base interactions energy: -611.531
where: short stacking energy: -264.951
Base-Backbone interact. energy: -0.743
local terms energy: -282.774364
where:
bonds (distance) C4'-P energy: -52.822
bonds (distance) P-C4' energy: -49.158
flat angles C4'-P-C4' energy: -60.915
flat angles P-C4'-P energy: -40.077
tors. eta vs tors. theta energy: -79.803
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: 3, replica: 2
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -881.536162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.536162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.536162 (E_RNA)
where:
Base-Base interactions energy: -623.221
where: short stacking energy: -266.088
Base-Backbone interact. energy: -0.814
local terms energy: -257.501105
where:
bonds (distance) C4'-P energy: -39.835
bonds (distance) P-C4' energy: -49.187
flat angles C4'-P-C4' energy: -55.738
flat angles P-C4'-P energy: -38.016
tors. eta vs tors. theta energy: -74.725
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: 326
Temperature: 1.050000
Total energy: -873.522433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.522433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.522433 (E_RNA)
where:
Base-Base interactions energy: -609.838
where: short stacking energy: -258.217
Base-Backbone interact. energy: -0.067
local terms energy: -263.617267
where:
bonds (distance) C4'-P energy: -45.380
bonds (distance) P-C4' energy: -53.076
flat angles C4'-P-C4' energy: -56.512
flat angles P-C4'-P energy: -36.668
tors. eta vs tors. theta energy: -71.981
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: 10
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -779.900010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.900010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.900010 (E_RNA)
where:
Base-Base interactions energy: -533.183
where: short stacking energy: -239.191
Base-Backbone interact. energy: 3.056
local terms energy: -249.772613
where:
bonds (distance) C4'-P energy: -38.794
bonds (distance) P-C4' energy: -55.190
flat angles C4'-P-C4' energy: -55.537
flat angles P-C4'-P energy: -32.410
tors. eta vs tors. theta energy: -67.842
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: 5
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -769.877340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.877340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.877340 (E_RNA)
where:
Base-Base interactions energy: -530.575
where: short stacking energy: -215.963
Base-Backbone interact. energy: -0.318
local terms energy: -238.983978
where:
bonds (distance) C4'-P energy: -38.947
bonds (distance) P-C4' energy: -47.745
flat angles C4'-P-C4' energy: -49.530
flat angles P-C4'-P energy: -37.607
tors. eta vs tors. theta energy: -65.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -734.430557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.430557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.430557 (E_RNA)
where:
Base-Base interactions energy: -506.825
where: short stacking energy: -200.514
Base-Backbone interact. energy: -1.708
local terms energy: -225.897208
where:
bonds (distance) C4'-P energy: -49.276
bonds (distance) P-C4' energy: -52.161
flat angles C4'-P-C4' energy: -51.806
flat angles P-C4'-P energy: -22.950
tors. eta vs tors. theta energy: -49.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -620.044818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.044818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.044818 (E_RNA)
where:
Base-Base interactions energy: -423.588
where: short stacking energy: -183.787
Base-Backbone interact. energy: -0.635
local terms energy: -195.821426
where:
bonds (distance) C4'-P energy: -31.360
bonds (distance) P-C4' energy: -48.563
flat angles C4'-P-C4' energy: -44.286
flat angles P-C4'-P energy: -28.107
tors. eta vs tors. theta energy: -43.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -471.983052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.983052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.983052 (E_RNA)
where:
Base-Base interactions energy: -296.744
where: short stacking energy: -149.799
Base-Backbone interact. energy: -2.509
local terms energy: -172.729501
where:
bonds (distance) C4'-P energy: -36.032
bonds (distance) P-C4' energy: -45.005
flat angles C4'-P-C4' energy: -45.359
flat angles P-C4'-P energy: -21.466
tors. eta vs tors. theta energy: -24.868
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: 6
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -225.639726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.639726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.639726 (E_RNA)
where:
Base-Base interactions energy: -87.864
where: short stacking energy: -69.943
Base-Backbone interact. energy: -0.667
local terms energy: -137.108341
where:
bonds (distance) C4'-P energy: -45.718
bonds (distance) P-C4' energy: -44.494
flat angles C4'-P-C4' energy: -27.248
flat angles P-C4'-P energy: -23.088
tors. eta vs tors. theta energy: 3.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -952.395344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.395344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.395344 (E_RNA)
where:
Base-Base interactions energy: -652.314
where: short stacking energy: -268.818
Base-Backbone interact. energy: -0.609
local terms energy: -299.473219
where:
bonds (distance) C4'-P energy: -60.803
bonds (distance) P-C4' energy: -52.337
flat angles C4'-P-C4' energy: -61.129
flat angles P-C4'-P energy: -45.833
tors. eta vs tors. theta energy: -79.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -921.620789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.620789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.620789 (E_RNA)
where:
Base-Base interactions energy: -631.760
where: short stacking energy: -271.382
Base-Backbone interact. energy: 2.489
local terms energy: -292.349680
where:
bonds (distance) C4'-P energy: -50.220
bonds (distance) P-C4' energy: -61.523
flat angles C4'-P-C4' energy: -64.071
flat angles P-C4'-P energy: -41.120
tors. eta vs tors. theta energy: -75.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -888.472872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.472872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.472872 (E_RNA)
where:
Base-Base interactions energy: -622.846
where: short stacking energy: -276.454
Base-Backbone interact. energy: -0.923
local terms energy: -264.704515
where:
bonds (distance) C4'-P energy: -43.508
bonds (distance) P-C4' energy: -41.510
flat angles C4'-P-C4' energy: -59.707
flat angles P-C4'-P energy: -42.394
tors. eta vs tors. theta energy: -77.586
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: 4, replica: 1
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -861.545422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.545422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.545422 (E_RNA)
where:
Base-Base interactions energy: -605.313
where: short stacking energy: -258.474
Base-Backbone interact. energy: -0.782
local terms energy: -255.449821
where:
bonds (distance) C4'-P energy: -48.274
bonds (distance) P-C4' energy: -47.286
flat angles C4'-P-C4' energy: -51.580
flat angles P-C4'-P energy: -39.660
tors. eta vs tors. theta energy: -68.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -837.685069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.685069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.685069 (E_RNA)
where:
Base-Base interactions energy: -575.954
where: short stacking energy: -243.901
Base-Backbone interact. energy: 0.087
local terms energy: -261.818137
where:
bonds (distance) C4'-P energy: -48.937
bonds (distance) P-C4' energy: -53.674
flat angles C4'-P-C4' energy: -57.820
flat angles P-C4'-P energy: -30.435
tors. eta vs tors. theta energy: -70.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -755.608217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.608217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.608217 (E_RNA)
where:
Base-Base interactions energy: -522.087
where: short stacking energy: -215.340
Base-Backbone interact. energy: -1.341
local terms energy: -232.180316
where:
bonds (distance) C4'-P energy: -41.947
bonds (distance) P-C4' energy: -47.200
flat angles C4'-P-C4' energy: -44.145
flat angles P-C4'-P energy: -45.488
tors. eta vs tors. theta energy: -53.399
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: 3
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -753.190671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.190671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.190671 (E_RNA)
where:
Base-Base interactions energy: -515.240
where: short stacking energy: -217.336
Base-Backbone interact. energy: 1.977
local terms energy: -239.927157
where:
bonds (distance) C4'-P energy: -46.328
bonds (distance) P-C4' energy: -39.289
flat angles C4'-P-C4' energy: -55.861
flat angles P-C4'-P energy: -38.364
tors. eta vs tors. theta energy: -60.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -632.887967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.887967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.887967 (E_RNA)
where:
Base-Base interactions energy: -419.452
where: short stacking energy: -167.622
Base-Backbone interact. energy: 1.272
local terms energy: -214.707738
where:
bonds (distance) C4'-P energy: -43.597
bonds (distance) P-C4' energy: -46.054
flat angles C4'-P-C4' energy: -56.949
flat angles P-C4'-P energy: -29.464
tors. eta vs tors. theta energy: -38.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -457.019640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.019640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.019640 (E_RNA)
where:
Base-Base interactions energy: -292.493
where: short stacking energy: -148.809
Base-Backbone interact. energy: -0.464
local terms energy: -164.062390
where:
bonds (distance) C4'-P energy: -24.195
bonds (distance) P-C4' energy: -35.529
flat angles C4'-P-C4' energy: -43.184
flat angles P-C4'-P energy: -35.772
tors. eta vs tors. theta energy: -25.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -232.414709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.414709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.414709 (E_RNA)
where:
Base-Base interactions energy: -95.462
where: short stacking energy: -71.693
Base-Backbone interact. energy: -1.549
local terms energy: -135.403187
where:
bonds (distance) C4'-P energy: -42.384
bonds (distance) P-C4' energy: -38.155
flat angles C4'-P-C4' energy: -36.147
flat angles P-C4'-P energy: -26.199
tors. eta vs tors. theta energy: 7.480
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: 1, replica: 2
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -951.328464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.328464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.328464 (E_RNA)
where:
Base-Base interactions energy: -666.847
where: short stacking energy: -276.014
Base-Backbone interact. energy: -0.110
local terms energy: -284.371511
where:
bonds (distance) C4'-P energy: -45.150
bonds (distance) P-C4' energy: -53.692
flat angles C4'-P-C4' energy: -62.577
flat angles P-C4'-P energy: -44.473
tors. eta vs tors. theta energy: -78.480
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: 8
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -947.160761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.160761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.160761 (E_RNA)
where:
Base-Base interactions energy: -664.605
where: short stacking energy: -275.199
Base-Backbone interact. energy: 0.697
local terms energy: -283.253080
where:
bonds (distance) C4'-P energy: -47.931
bonds (distance) P-C4' energy: -47.025
flat angles C4'-P-C4' energy: -61.601
flat angles P-C4'-P energy: -46.282
tors. eta vs tors. theta energy: -80.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -896.569402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.569402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.569402 (E_RNA)
where:
Base-Base interactions energy: -622.718
where: short stacking energy: -264.376
Base-Backbone interact. energy: -0.572
local terms energy: -273.279460
where:
bonds (distance) C4'-P energy: -50.271
bonds (distance) P-C4' energy: -52.096
flat angles C4'-P-C4' energy: -59.115
flat angles P-C4'-P energy: -34.956
tors. eta vs tors. theta energy: -76.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -861.060980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.060980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.060980 (E_RNA)
where:
Base-Base interactions energy: -607.946
where: short stacking energy: -248.122
Base-Backbone interact. energy: 1.086
local terms energy: -254.200929
where:
bonds (distance) C4'-P energy: -48.539
bonds (distance) P-C4' energy: -42.845
flat angles C4'-P-C4' energy: -54.580
flat angles P-C4'-P energy: -37.750
tors. eta vs tors. theta energy: -70.487
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: 5, replica: 10
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -805.746106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.746106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.746106 (E_RNA)
where:
Base-Base interactions energy: -561.354
where: short stacking energy: -230.210
Base-Backbone interact. energy: -1.181
local terms energy: -243.210857
where:
bonds (distance) C4'-P energy: -48.963
bonds (distance) P-C4' energy: -41.567
flat angles C4'-P-C4' energy: -47.328
flat angles P-C4'-P energy: -37.996
tors. eta vs tors. theta energy: -67.357
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: 5
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -771.904227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.904227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.904227 (E_RNA)
where:
Base-Base interactions energy: -544.353
where: short stacking energy: -231.440
Base-Backbone interact. energy: -0.211
local terms energy: -227.339979
where:
bonds (distance) C4'-P energy: -35.039
bonds (distance) P-C4' energy: -50.506
flat angles C4'-P-C4' energy: -48.217
flat angles P-C4'-P energy: -31.632
tors. eta vs tors. theta energy: -61.946
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: 3
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -734.080985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.080985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.080985 (E_RNA)
where:
Base-Base interactions energy: -515.313
where: short stacking energy: -211.757
Base-Backbone interact. energy: -1.180
local terms energy: -217.587395
where:
bonds (distance) C4'-P energy: -44.840
bonds (distance) P-C4' energy: -36.112
flat angles C4'-P-C4' energy: -45.652
flat angles P-C4'-P energy: -28.418
tors. eta vs tors. theta energy: -62.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -638.747795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.747795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.747795 (E_RNA)
where:
Base-Base interactions energy: -423.076
where: short stacking energy: -175.899
Base-Backbone interact. energy: -1.327
local terms energy: -214.345515
where:
bonds (distance) C4'-P energy: -47.912
bonds (distance) P-C4' energy: -42.100
flat angles C4'-P-C4' energy: -40.875
flat angles P-C4'-P energy: -35.018
tors. eta vs tors. theta energy: -48.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -518.942435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.942435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.942435 (E_RNA)
where:
Base-Base interactions energy: -315.949
where: short stacking energy: -148.090
Base-Backbone interact. energy: 0.614
local terms energy: -203.607637
where:
bonds (distance) C4'-P energy: -47.530
bonds (distance) P-C4' energy: -41.708
flat angles C4'-P-C4' energy: -54.815
flat angles P-C4'-P energy: -25.605
tors. eta vs tors. theta energy: -33.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -232.474658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.474658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.474658 (E_RNA)
where:
Base-Base interactions energy: -92.564
where: short stacking energy: -75.528
Base-Backbone interact. energy: -0.827
local terms energy: -139.084365
where:
bonds (distance) C4'-P energy: -41.400
bonds (distance) P-C4' energy: -41.071
flat angles C4'-P-C4' energy: -39.468
flat angles P-C4'-P energy: -19.048
tors. eta vs tors. theta energy: 1.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -963.840178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.840178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.840178 (E_RNA)
where:
Base-Base interactions energy: -665.021
where: short stacking energy: -273.940
Base-Backbone interact. energy: -2.612
local terms energy: -296.207756
where:
bonds (distance) C4'-P energy: -62.637
bonds (distance) P-C4' energy: -47.953
flat angles C4'-P-C4' energy: -65.341
flat angles P-C4'-P energy: -42.663
tors. eta vs tors. theta energy: -77.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -884.467788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.467788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.467788 (E_RNA)
where:
Base-Base interactions energy: -602.094
where: short stacking energy: -250.025
Base-Backbone interact. energy: 0.909
local terms energy: -283.282441
where:
bonds (distance) C4'-P energy: -51.930
bonds (distance) P-C4' energy: -52.208
flat angles C4'-P-C4' energy: -60.868
flat angles P-C4'-P energy: -44.787
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: 8
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -915.437504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.437504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.437504 (E_RNA)
where:
Base-Base interactions energy: -624.976
where: short stacking energy: -266.010
Base-Backbone interact. energy: -2.086
local terms energy: -288.375103
where:
bonds (distance) C4'-P energy: -60.799
bonds (distance) P-C4' energy: -49.447
flat angles C4'-P-C4' energy: -54.158
flat angles P-C4'-P energy: -40.359
tors. eta vs tors. theta energy: -83.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -891.934123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.934123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.934123 (E_RNA)
where:
Base-Base interactions energy: -597.170
where: short stacking energy: -262.184
Base-Backbone interact. energy: -2.107
local terms energy: -292.657403
where:
bonds (distance) C4'-P energy: -50.004
bonds (distance) P-C4' energy: -57.351
flat angles C4'-P-C4' energy: -61.294
flat angles P-C4'-P energy: -43.496
tors. eta vs tors. theta energy: -80.512
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: 329
Temperature: 1.100000
Total energy: -803.451850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.451850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.451850 (E_RNA)
where:
Base-Base interactions energy: -534.852
where: short stacking energy: -217.570
Base-Backbone interact. energy: -1.229
local terms energy: -267.370561
where:
bonds (distance) C4'-P energy: -62.646
bonds (distance) P-C4' energy: -49.806
flat angles C4'-P-C4' energy: -53.794
flat angles P-C4'-P energy: -38.808
tors. eta vs tors. theta energy: -62.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -762.385292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.385292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.385292 (E_RNA)
where:
Base-Base interactions energy: -540.179
where: short stacking energy: -235.346
Base-Backbone interact. energy: 1.878
local terms energy: -224.083520
where:
bonds (distance) C4'-P energy: -44.740
bonds (distance) P-C4' energy: -53.359
flat angles C4'-P-C4' energy: -47.022
flat angles P-C4'-P energy: -18.519
tors. eta vs tors. theta energy: -60.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -730.158688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.158688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.158688 (E_RNA)
where:
Base-Base interactions energy: -496.414
where: short stacking energy: -218.710
Base-Backbone interact. energy: 0.219
local terms energy: -233.963187
where:
bonds (distance) C4'-P energy: -47.500
bonds (distance) P-C4' energy: -43.617
flat angles C4'-P-C4' energy: -56.079
flat angles P-C4'-P energy: -34.127
tors. eta vs tors. theta energy: -52.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -655.133028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.133028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.133028 (E_RNA)
where:
Base-Base interactions energy: -444.230
where: short stacking energy: -179.937
Base-Backbone interact. energy: -0.524
local terms energy: -210.379367
where:
bonds (distance) C4'-P energy: -44.089
bonds (distance) P-C4' energy: -47.354
flat angles C4'-P-C4' energy: -42.024
flat angles P-C4'-P energy: -37.492
tors. eta vs tors. theta energy: -39.420
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: 7
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -491.408365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.408365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.408365 (E_RNA)
where:
Base-Base interactions energy: -309.418
where: short stacking energy: -134.754
Base-Backbone interact. energy: 2.047
local terms energy: -184.037296
where:
bonds (distance) C4'-P energy: -47.835
bonds (distance) P-C4' energy: -44.919
flat angles C4'-P-C4' energy: -45.085
flat angles P-C4'-P energy: -23.022
tors. eta vs tors. theta energy: -23.176
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: 6
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -241.554500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.554500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.554500 (E_RNA)
where:
Base-Base interactions energy: -112.122
where: short stacking energy: -61.639
Base-Backbone interact. energy: -1.198
local terms energy: -128.234806
where:
bonds (distance) C4'-P energy: -42.423
bonds (distance) P-C4' energy: -35.707
flat angles C4'-P-C4' energy: -36.956
flat angles P-C4'-P energy: -26.378
tors. eta vs tors. theta energy: 13.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -952.455790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.455790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.455790 (E_RNA)
where:
Base-Base interactions energy: -673.926
where: short stacking energy: -282.781
Base-Backbone interact. energy: -0.737
local terms energy: -277.792865
where:
bonds (distance) C4'-P energy: -49.140
bonds (distance) P-C4' energy: -42.732
flat angles C4'-P-C4' energy: -61.921
flat angles P-C4'-P energy: -41.920
tors. eta vs tors. theta energy: -82.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -897.588528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.588528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.588528 (E_RNA)
where:
Base-Base interactions energy: -616.252
where: short stacking energy: -248.147
Base-Backbone interact. energy: -0.617
local terms energy: -280.720071
where:
bonds (distance) C4'-P energy: -53.499
bonds (distance) P-C4' energy: -52.211
flat angles C4'-P-C4' energy: -57.587
flat angles P-C4'-P energy: -39.497
tors. eta vs tors. theta energy: -77.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -913.034955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.034955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.034955 (E_RNA)
where:
Base-Base interactions energy: -629.266
where: short stacking energy: -281.326
Base-Backbone interact. energy: 0.777
local terms energy: -284.546476
where:
bonds (distance) C4'-P energy: -42.660
bonds (distance) P-C4' energy: -48.946
flat angles C4'-P-C4' energy: -60.799
flat angles P-C4'-P energy: -43.815
tors. eta vs tors. theta energy: -88.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -898.833052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.833052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.833052 (E_RNA)
where:
Base-Base interactions energy: -627.207
where: short stacking energy: -263.533
Base-Backbone interact. energy: -1.167
local terms energy: -270.458578
where:
bonds (distance) C4'-P energy: -52.121
bonds (distance) P-C4' energy: -48.221
flat angles C4'-P-C4' energy: -61.097
flat angles P-C4'-P energy: -29.499
tors. eta vs tors. theta energy: -79.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -813.530478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.530478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.530478 (E_RNA)
where:
Base-Base interactions energy: -560.060
where: short stacking energy: -237.759
Base-Backbone interact. energy: -0.435
local terms energy: -253.035059
where:
bonds (distance) C4'-P energy: -52.720
bonds (distance) P-C4' energy: -47.247
flat angles C4'-P-C4' energy: -50.713
flat angles P-C4'-P energy: -40.087
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: 6, replica: 5
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -756.087586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.087586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.087586 (E_RNA)
where:
Base-Base interactions energy: -538.064
where: short stacking energy: -219.676
Base-Backbone interact. energy: -1.029
local terms energy: -216.994863
where:
bonds (distance) C4'-P energy: -38.469
bonds (distance) P-C4' energy: -37.751
flat angles C4'-P-C4' energy: -50.375
flat angles P-C4'-P energy: -38.096
tors. eta vs tors. theta energy: -52.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -752.233779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.233779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.233779 (E_RNA)
where:
Base-Base interactions energy: -505.039
where: short stacking energy: -203.055
Base-Backbone interact. energy: -1.533
local terms energy: -245.661476
where:
bonds (distance) C4'-P energy: -50.734
bonds (distance) P-C4' energy: -57.247
flat angles C4'-P-C4' energy: -53.540
flat angles P-C4'-P energy: -31.541
tors. eta vs tors. theta energy: -52.600
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: 8, replica: 9
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -625.200831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.200831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.200831 (E_RNA)
where:
Base-Base interactions energy: -414.425
where: short stacking energy: -182.549
Base-Backbone interact. energy: -0.990
local terms energy: -209.786154
where:
bonds (distance) C4'-P energy: -41.597
bonds (distance) P-C4' energy: -47.773
flat angles C4'-P-C4' energy: -51.375
flat angles P-C4'-P energy: -20.049
tors. eta vs tors. theta energy: -48.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -493.015350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.015350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.015350 (E_RNA)
where:
Base-Base interactions energy: -309.155
where: short stacking energy: -145.984
Base-Backbone interact. energy: -0.252
local terms energy: -183.607945
where:
bonds (distance) C4'-P energy: -46.639
bonds (distance) P-C4' energy: -48.488
flat angles C4'-P-C4' energy: -39.052
flat angles P-C4'-P energy: -21.887
tors. eta vs tors. theta energy: -27.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -316.656011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.656011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.656011 (E_RNA)
where:
Base-Base interactions energy: -146.860
where: short stacking energy: -97.201
Base-Backbone interact. energy: -0.547
local terms energy: -169.248777
where:
bonds (distance) C4'-P energy: -43.038
bonds (distance) P-C4' energy: -50.206
flat angles C4'-P-C4' energy: -41.421
flat angles P-C4'-P energy: -21.310
tors. eta vs tors. theta energy: -13.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -963.628643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.628643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.628643 (E_RNA)
where:
Base-Base interactions energy: -678.218
where: short stacking energy: -292.932
Base-Backbone interact. energy: -1.039
local terms energy: -284.371807
where:
bonds (distance) C4'-P energy: -51.420
bonds (distance) P-C4' energy: -51.406
flat angles C4'-P-C4' energy: -65.645
flat angles P-C4'-P energy: -34.155
tors. eta vs tors. theta energy: -81.746
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: 2, replica: 1
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -916.577563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.577563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.577563 (E_RNA)
where:
Base-Base interactions energy: -628.707
where: short stacking energy: -272.960
Base-Backbone interact. energy: -1.360
local terms energy: -286.510462
where:
bonds (distance) C4'-P energy: -50.429
bonds (distance) P-C4' energy: -54.719
flat angles C4'-P-C4' energy: -57.399
flat angles P-C4'-P energy: -39.052
tors. eta vs tors. theta energy: -84.912
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: 4
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -859.732738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.732738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.732738 (E_RNA)
where:
Base-Base interactions energy: -597.351
where: short stacking energy: -268.803
Base-Backbone interact. energy: -0.422
local terms energy: -261.959622
where:
bonds (distance) C4'-P energy: -49.620
bonds (distance) P-C4' energy: -46.059
flat angles C4'-P-C4' energy: -53.097
flat angles P-C4'-P energy: -38.162
tors. eta vs tors. theta energy: -75.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -920.448296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.448296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.448296 (E_RNA)
where:
Base-Base interactions energy: -642.005
where: short stacking energy: -274.429
Base-Backbone interact. energy: -0.890
local terms energy: -277.553883
where:
bonds (distance) C4'-P energy: -49.030
bonds (distance) P-C4' energy: -51.929
flat angles C4'-P-C4' energy: -60.384
flat angles P-C4'-P energy: -40.103
tors. eta vs tors. theta energy: -76.108
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: 10
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -827.513515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.513515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.513515 (E_RNA)
where:
Base-Base interactions energy: -572.874
where: short stacking energy: -247.527
Base-Backbone interact. energy: 0.513
local terms energy: -255.152304
where:
bonds (distance) C4'-P energy: -47.655
bonds (distance) P-C4' energy: -49.174
flat angles C4'-P-C4' energy: -56.618
flat angles P-C4'-P energy: -29.359
tors. eta vs tors. theta energy: -72.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -780.467378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.467378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.467378 (E_RNA)
where:
Base-Base interactions energy: -538.430
where: short stacking energy: -225.352
Base-Backbone interact. energy: -0.643
local terms energy: -241.394417
where:
bonds (distance) C4'-P energy: -46.983
bonds (distance) P-C4' energy: -46.144
flat angles C4'-P-C4' energy: -49.309
flat angles P-C4'-P energy: -31.377
tors. eta vs tors. theta energy: -67.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -737.772546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.772546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.772546 (E_RNA)
where:
Base-Base interactions energy: -520.914
where: short stacking energy: -215.339
Base-Backbone interact. energy: -0.907
local terms energy: -215.951734
where:
bonds (distance) C4'-P energy: -34.197
bonds (distance) P-C4' energy: -55.630
flat angles C4'-P-C4' energy: -46.671
flat angles P-C4'-P energy: -26.110
tors. eta vs tors. theta energy: -53.343
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: 9
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -640.958739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.958739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.958739 (E_RNA)
where:
Base-Base interactions energy: -428.770
where: short stacking energy: -198.205
Base-Backbone interact. energy: 0.110
local terms energy: -212.298676
where:
bonds (distance) C4'-P energy: -41.136
bonds (distance) P-C4' energy: -37.488
flat angles C4'-P-C4' energy: -53.114
flat angles P-C4'-P energy: -34.581
tors. eta vs tors. theta energy: -45.979
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: 7
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -490.264303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.264303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.264303 (E_RNA)
where:
Base-Base interactions energy: -308.398
where: short stacking energy: -139.921
Base-Backbone interact. energy: -1.322
local terms energy: -180.544162
where:
bonds (distance) C4'-P energy: -42.440
bonds (distance) P-C4' energy: -36.308
flat angles C4'-P-C4' energy: -45.274
flat angles P-C4'-P energy: -32.323
tors. eta vs tors. theta energy: -24.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -308.538129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.538129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.538129 (E_RNA)
where:
Base-Base interactions energy: -151.449
where: short stacking energy: -91.173
Base-Backbone interact. energy: -2.014
local terms energy: -155.075472
where:
bonds (distance) C4'-P energy: -42.250
bonds (distance) P-C4' energy: -50.186
flat angles C4'-P-C4' energy: -37.842
flat angles P-C4'-P energy: -18.070
tors. eta vs tors. theta energy: -6.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -953.449243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.449243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.449243 (E_RNA)
where:
Base-Base interactions energy: -675.591
where: short stacking energy: -273.639
Base-Backbone interact. energy: 3.255
local terms energy: -281.113265
where:
bonds (distance) C4'-P energy: -56.226
bonds (distance) P-C4' energy: -54.259
flat angles C4'-P-C4' energy: -54.690
flat angles P-C4'-P energy: -38.169
tors. eta vs tors. theta energy: -77.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -910.964829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.964829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.964829 (E_RNA)
where:
Base-Base interactions energy: -617.234
where: short stacking energy: -254.090
Base-Backbone interact. energy: 0.503
local terms energy: -294.233950
where:
bonds (distance) C4'-P energy: -56.790
bonds (distance) P-C4' energy: -56.173
flat angles C4'-P-C4' energy: -62.608
flat angles P-C4'-P energy: -45.121
tors. eta vs tors. theta energy: -73.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -930.821782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.821782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.821782 (E_RNA)
where:
Base-Base interactions energy: -646.153
where: short stacking energy: -281.694
Base-Backbone interact. energy: -0.807
local terms energy: -283.861305
where:
bonds (distance) C4'-P energy: -47.152
bonds (distance) P-C4' energy: -45.983
flat angles C4'-P-C4' energy: -60.102
flat angles P-C4'-P energy: -45.049
tors. eta vs tors. theta energy: -85.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -842.336749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.336749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.336749 (E_RNA)
where:
Base-Base interactions energy: -575.487
where: short stacking energy: -246.678
Base-Backbone interact. energy: -0.274
local terms energy: -266.575568
where:
bonds (distance) C4'-P energy: -46.937
bonds (distance) P-C4' energy: -47.001
flat angles C4'-P-C4' energy: -54.526
flat angles P-C4'-P energy: -35.975
tors. eta vs tors. theta energy: -82.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -817.307025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.307025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.307025 (E_RNA)
where:
Base-Base interactions energy: -576.571
where: short stacking energy: -236.781
Base-Backbone interact. energy: -1.351
local terms energy: -239.385078
where:
bonds (distance) C4'-P energy: -40.946
bonds (distance) P-C4' energy: -45.825
flat angles C4'-P-C4' energy: -49.474
flat angles P-C4'-P energy: -38.285
tors. eta vs tors. theta energy: -64.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -773.595563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.595563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.595563 (E_RNA)
where:
Base-Base interactions energy: -535.891
where: short stacking energy: -229.220
Base-Backbone interact. energy: -0.999
local terms energy: -236.705258
where:
bonds (distance) C4'-P energy: -49.071
bonds (distance) P-C4' energy: -51.903
flat angles C4'-P-C4' energy: -46.925
flat angles P-C4'-P energy: -29.469
tors. eta vs tors. theta energy: -59.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -771.842919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.842919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.842919 (E_RNA)
where:
Base-Base interactions energy: -555.650
where: short stacking energy: -220.145
Base-Backbone interact. energy: 5.469
local terms energy: -221.661739
where:
bonds (distance) C4'-P energy: -53.125
bonds (distance) P-C4' energy: -42.512
flat angles C4'-P-C4' energy: -51.768
flat angles P-C4'-P energy: -24.793
tors. eta vs tors. theta energy: -49.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -609.765420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.765420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.765420 (E_RNA)
where:
Base-Base interactions energy: -408.406
where: short stacking energy: -183.921
Base-Backbone interact. energy: -0.350
local terms energy: -201.009333
where:
bonds (distance) C4'-P energy: -35.529
bonds (distance) P-C4' energy: -43.723
flat angles C4'-P-C4' energy: -41.653
flat angles P-C4'-P energy: -32.448
tors. eta vs tors. theta energy: -47.656
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: 7
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -541.328187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.328187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.328187 (E_RNA)
where:
Base-Base interactions energy: -357.531
where: short stacking energy: -152.566
Base-Backbone interact. energy: -0.871
local terms energy: -182.926126
where:
bonds (distance) C4'-P energy: -37.256
bonds (distance) P-C4' energy: -45.900
flat angles C4'-P-C4' energy: -37.289
flat angles P-C4'-P energy: -25.601
tors. eta vs tors. theta energy: -36.880
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: 6
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -294.516757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.516757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.516757 (E_RNA)
where:
Base-Base interactions energy: -145.342
where: short stacking energy: -81.090
Base-Backbone interact. energy: 0.332
local terms energy: -149.506746
where:
bonds (distance) C4'-P energy: -43.424
bonds (distance) P-C4' energy: -42.586
flat angles C4'-P-C4' energy: -42.247
flat angles P-C4'-P energy: -27.298
tors. eta vs tors. theta energy: 6.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -962.327689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.327689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.327689 (E_RNA)
where:
Base-Base interactions energy: -666.659
where: short stacking energy: -278.627
Base-Backbone interact. energy: -0.640
local terms energy: -295.029212
where:
bonds (distance) C4'-P energy: -52.396
bonds (distance) P-C4' energy: -55.601
flat angles C4'-P-C4' energy: -64.100
flat angles P-C4'-P energy: -40.903
tors. eta vs tors. theta energy: -82.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -932.887341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.887341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.887341 (E_RNA)
where:
Base-Base interactions energy: -642.823
where: short stacking energy: -270.427
Base-Backbone interact. energy: -2.160
local terms energy: -287.903870
where:
bonds (distance) C4'-P energy: -47.595
bonds (distance) P-C4' energy: -51.234
flat angles C4'-P-C4' energy: -58.426
flat angles P-C4'-P energy: -45.883
tors. eta vs tors. theta energy: -84.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -901.616584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.616584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.616584 (E_RNA)
where:
Base-Base interactions energy: -632.290
where: short stacking energy: -267.950
Base-Backbone interact. energy: -0.976
local terms energy: -268.350792
where:
bonds (distance) C4'-P energy: -51.272
bonds (distance) P-C4' energy: -41.592
flat angles C4'-P-C4' energy: -53.724
flat angles P-C4'-P energy: -45.268
tors. eta vs tors. theta energy: -76.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -847.994983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.994983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.994983 (E_RNA)
where:
Base-Base interactions energy: -585.511
where: short stacking energy: -243.225
Base-Backbone interact. energy: -1.388
local terms energy: -261.096058
where:
bonds (distance) C4'-P energy: -46.069
bonds (distance) P-C4' energy: -56.282
flat angles C4'-P-C4' energy: -53.995
flat angles P-C4'-P energy: -31.995
tors. eta vs tors. theta energy: -72.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -825.587637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.587637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.587637 (E_RNA)
where:
Base-Base interactions energy: -570.166
where: short stacking energy: -237.352
Base-Backbone interact. energy: 1.064
local terms energy: -256.486024
where:
bonds (distance) C4'-P energy: -51.241
bonds (distance) P-C4' energy: -52.076
flat angles C4'-P-C4' energy: -52.906
flat angles P-C4'-P energy: -22.067
tors. eta vs tors. theta energy: -78.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -767.092155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.092155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.092155 (E_RNA)
where:
Base-Base interactions energy: -520.920
where: short stacking energy: -225.277
Base-Backbone interact. energy: -1.405
local terms energy: -244.767398
where:
bonds (distance) C4'-P energy: -49.011
bonds (distance) P-C4' energy: -40.952
flat angles C4'-P-C4' energy: -55.127
flat angles P-C4'-P energy: -32.076
tors. eta vs tors. theta energy: -67.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -737.086415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.086415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.086415 (E_RNA)
where:
Base-Base interactions energy: -501.358
where: short stacking energy: -192.223
Base-Backbone interact. energy: -2.091
local terms energy: -233.638079
where:
bonds (distance) C4'-P energy: -39.970
bonds (distance) P-C4' energy: -53.649
flat angles C4'-P-C4' energy: -49.612
flat angles P-C4'-P energy: -35.388
tors. eta vs tors. theta energy: -55.019
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: 9
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -607.978367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.978367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.978367 (E_RNA)
where:
Base-Base interactions energy: -425.131
where: short stacking energy: -173.826
Base-Backbone interact. energy: -0.927
local terms energy: -181.920173
where:
bonds (distance) C4'-P energy: -44.238
bonds (distance) P-C4' energy: -43.268
flat angles C4'-P-C4' energy: -32.064
flat angles P-C4'-P energy: -26.878
tors. eta vs tors. theta energy: -35.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -577.587147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.587147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.587147 (E_RNA)
where:
Base-Base interactions energy: -386.120
where: short stacking energy: -158.338
Base-Backbone interact. energy: -0.756
local terms energy: -190.710312
where:
bonds (distance) C4'-P energy: -37.929
bonds (distance) P-C4' energy: -48.759
flat angles C4'-P-C4' energy: -43.314
flat angles P-C4'-P energy: -26.259
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: 10, replica: 6
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -279.661881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.661881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.661881 (E_RNA)
where:
Base-Base interactions energy: -133.035
where: short stacking energy: -80.702
Base-Backbone interact. energy: 3.615
local terms energy: -150.241831
where:
bonds (distance) C4'-P energy: -45.807
bonds (distance) P-C4' energy: -51.065
flat angles C4'-P-C4' energy: -42.542
flat angles P-C4'-P energy: -19.885
tors. eta vs tors. theta energy: 9.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -959.509316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.509316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.509316 (E_RNA)
where:
Base-Base interactions energy: -660.984
where: short stacking energy: -284.524
Base-Backbone interact. energy: -1.364
local terms energy: -297.161127
where:
bonds (distance) C4'-P energy: -57.674
bonds (distance) P-C4' energy: -56.232
flat angles C4'-P-C4' energy: -53.144
flat angles P-C4'-P energy: -42.771
tors. eta vs tors. theta energy: -87.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -930.403922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.403922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.403922 (E_RNA)
where:
Base-Base interactions energy: -641.394
where: short stacking energy: -277.589
Base-Backbone interact. energy: -0.474
local terms energy: -288.536239
where:
bonds (distance) C4'-P energy: -54.577
bonds (distance) P-C4' energy: -48.095
flat angles C4'-P-C4' energy: -62.863
flat angles P-C4'-P energy: -38.236
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: 3, replica: 10
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -864.758433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.758433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.758433 (E_RNA)
where:
Base-Base interactions energy: -597.576
where: short stacking energy: -242.106
Base-Backbone interact. energy: -2.299
local terms energy: -264.883489
where:
bonds (distance) C4'-P energy: -50.809
bonds (distance) P-C4' energy: -47.539
flat angles C4'-P-C4' energy: -54.800
flat angles P-C4'-P energy: -41.083
tors. eta vs tors. theta energy: -70.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -875.592723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.592723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.592723 (E_RNA)
where:
Base-Base interactions energy: -620.957
where: short stacking energy: -254.545
Base-Backbone interact. energy: 0.906
local terms energy: -255.541982
where:
bonds (distance) C4'-P energy: -42.520
bonds (distance) P-C4' energy: -46.871
flat angles C4'-P-C4' energy: -51.923
flat angles P-C4'-P energy: -39.414
tors. eta vs tors. theta energy: -74.814
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: 4
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -815.674639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.674639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.674639 (E_RNA)
where:
Base-Base interactions energy: -560.495
where: short stacking energy: -238.679
Base-Backbone interact. energy: -0.891
local terms energy: -254.288254
where:
bonds (distance) C4'-P energy: -41.965
bonds (distance) P-C4' energy: -47.078
flat angles C4'-P-C4' energy: -48.706
flat angles P-C4'-P energy: -43.616
tors. eta vs tors. theta energy: -72.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -769.719063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.719063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.719063 (E_RNA)
where:
Base-Base interactions energy: -524.052
where: short stacking energy: -220.664
Base-Backbone interact. energy: -1.170
local terms energy: -244.496718
where:
bonds (distance) C4'-P energy: -48.390
bonds (distance) P-C4' energy: -42.697
flat angles C4'-P-C4' energy: -52.002
flat angles P-C4'-P energy: -38.984
tors. eta vs tors. theta energy: -62.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -753.349771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.349771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.349771 (E_RNA)
where:
Base-Base interactions energy: -523.801
where: short stacking energy: -210.991
Base-Backbone interact. energy: -0.609
local terms energy: -228.939523
where:
bonds (distance) C4'-P energy: -41.546
bonds (distance) P-C4' energy: -50.264
flat angles C4'-P-C4' energy: -57.430
flat angles P-C4'-P energy: -21.942
tors. eta vs tors. theta energy: -57.759
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: 9
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -633.466086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.466086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.466086 (E_RNA)
where:
Base-Base interactions energy: -419.984
where: short stacking energy: -174.278
Base-Backbone interact. energy: -1.130
local terms energy: -212.351543
where:
bonds (distance) C4'-P energy: -42.338
bonds (distance) P-C4' energy: -52.602
flat angles C4'-P-C4' energy: -50.108
flat angles P-C4'-P energy: -31.041
tors. eta vs tors. theta energy: -36.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -576.074190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.074190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.074190 (E_RNA)
where:
Base-Base interactions energy: -382.587
where: short stacking energy: -154.917
Base-Backbone interact. energy: 1.504
local terms energy: -194.991044
where:
bonds (distance) C4'-P energy: -39.929
bonds (distance) P-C4' energy: -43.236
flat angles C4'-P-C4' energy: -58.259
flat angles P-C4'-P energy: -22.706
tors. eta vs tors. theta energy: -30.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -229.844484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.844484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.844484 (E_RNA)
where:
Base-Base interactions energy: -72.217
where: short stacking energy: -50.523
Base-Backbone interact. energy: -0.511
local terms energy: -157.116120
where:
bonds (distance) C4'-P energy: -51.014
bonds (distance) P-C4' energy: -56.435
flat angles C4'-P-C4' energy: -31.079
flat angles P-C4'-P energy: -20.124
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: 1, replica: 2
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -958.070119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.070119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.070119 (E_RNA)
where:
Base-Base interactions energy: -660.256
where: short stacking energy: -289.525
Base-Backbone interact. energy: -0.333
local terms energy: -297.481774
where:
bonds (distance) C4'-P energy: -57.529
bonds (distance) P-C4' energy: -49.591
flat angles C4'-P-C4' energy: -64.786
flat angles P-C4'-P energy: -37.854
tors. eta vs tors. theta energy: -87.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -934.187797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.187797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.187797 (E_RNA)
where:
Base-Base interactions energy: -649.420
where: short stacking energy: -291.019
Base-Backbone interact. energy: -1.341
local terms energy: -283.427392
where:
bonds (distance) C4'-P energy: -46.736
bonds (distance) P-C4' energy: -49.681
flat angles C4'-P-C4' energy: -61.998
flat angles P-C4'-P energy: -38.416
tors. eta vs tors. theta energy: -86.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -862.637632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.637632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.637632 (E_RNA)
where:
Base-Base interactions energy: -590.781
where: short stacking energy: -252.832
Base-Backbone interact. energy: -1.253
local terms energy: -270.603626
where:
bonds (distance) C4'-P energy: -53.229
bonds (distance) P-C4' energy: -39.838
flat angles C4'-P-C4' energy: -58.682
flat angles P-C4'-P energy: -48.714
tors. eta vs tors. theta energy: -70.140
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: 4, replica: 1
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -885.102579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.102579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.102579 (E_RNA)
where:
Base-Base interactions energy: -616.912
where: short stacking energy: -263.557
Base-Backbone interact. energy: -1.616
local terms energy: -266.574511
where:
bonds (distance) C4'-P energy: -49.231
bonds (distance) P-C4' energy: -46.009
flat angles C4'-P-C4' energy: -58.866
flat angles P-C4'-P energy: -33.802
tors. eta vs tors. theta energy: -78.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -807.394912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.394912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.394912 (E_RNA)
where:
Base-Base interactions energy: -565.561
where: short stacking energy: -222.703
Base-Backbone interact. energy: -0.046
local terms energy: -241.787416
where:
bonds (distance) C4'-P energy: -41.967
bonds (distance) P-C4' energy: -48.727
flat angles C4'-P-C4' energy: -47.804
flat angles P-C4'-P energy: -35.125
tors. eta vs tors. theta energy: -68.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -764.645633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.645633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.645633 (E_RNA)
where:
Base-Base interactions energy: -526.497
where: short stacking energy: -203.081
Base-Backbone interact. energy: 0.427
local terms energy: -238.575969
where:
bonds (distance) C4'-P energy: -49.779
bonds (distance) P-C4' energy: -52.579
flat angles C4'-P-C4' energy: -49.557
flat angles P-C4'-P energy: -35.351
tors. eta vs tors. theta energy: -51.310
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: 3
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -707.435075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.435075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.435075 (E_RNA)
where:
Base-Base interactions energy: -478.254
where: short stacking energy: -191.905
Base-Backbone interact. energy: -0.377
local terms energy: -228.804460
where:
bonds (distance) C4'-P energy: -44.759
bonds (distance) P-C4' energy: -51.420
flat angles C4'-P-C4' energy: -46.526
flat angles P-C4'-P energy: -37.464
tors. eta vs tors. theta energy: -48.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -646.637617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.637617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.637617 (E_RNA)
where:
Base-Base interactions energy: -423.940
where: short stacking energy: -174.037
Base-Backbone interact. energy: -0.738
local terms energy: -221.958747
where:
bonds (distance) C4'-P energy: -43.034
bonds (distance) P-C4' energy: -50.233
flat angles C4'-P-C4' energy: -47.157
flat angles P-C4'-P energy: -35.814
tors. eta vs tors. theta energy: -45.721
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: 7
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -565.248408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.248408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.248408 (E_RNA)
where:
Base-Base interactions energy: -347.196
where: short stacking energy: -153.774
Base-Backbone interact. energy: -0.824
local terms energy: -217.228526
where:
bonds (distance) C4'-P energy: -43.161
bonds (distance) P-C4' energy: -52.064
flat angles C4'-P-C4' energy: -39.766
flat angles P-C4'-P energy: -39.480
tors. eta vs tors. theta energy: -42.758
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: 6
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -239.259629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.259629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.259629 (E_RNA)
where:
Base-Base interactions energy: -91.037
where: short stacking energy: -46.631
Base-Backbone interact. energy: 1.775
local terms energy: -149.997198
where:
bonds (distance) C4'-P energy: -32.543
bonds (distance) P-C4' energy: -54.321
flat angles C4'-P-C4' energy: -36.961
flat angles P-C4'-P energy: -28.459
tors. eta vs tors. theta energy: 2.287
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: 1, replica: 2
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -969.866644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.866644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.866644 (E_RNA)
where:
Base-Base interactions energy: -676.889
where: short stacking energy: -283.426
Base-Backbone interact. energy: -2.416
local terms energy: -290.561238
where:
bonds (distance) C4'-P energy: -50.729
bonds (distance) P-C4' energy: -54.673
flat angles C4'-P-C4' energy: -64.358
flat angles P-C4'-P energy: -41.068
tors. eta vs tors. theta energy: -79.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -939.875179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.875179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.875179 (E_RNA)
where:
Base-Base interactions energy: -661.174
where: short stacking energy: -283.214
Base-Backbone interact. energy: -1.063
local terms energy: -277.638284
where:
bonds (distance) C4'-P energy: -45.727
bonds (distance) P-C4' energy: -56.657
flat angles C4'-P-C4' energy: -55.927
flat angles P-C4'-P energy: -32.938
tors. eta vs tors. theta energy: -86.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -918.799479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.799479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.799479 (E_RNA)
where:
Base-Base interactions energy: -633.869
where: short stacking energy: -273.561
Base-Backbone interact. energy: -1.146
local terms energy: -283.784817
where:
bonds (distance) C4'-P energy: -52.748
bonds (distance) P-C4' energy: -49.582
flat angles C4'-P-C4' energy: -57.566
flat angles P-C4'-P energy: -36.158
tors. eta vs tors. theta energy: -87.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -839.328125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.328125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.328125 (E_RNA)
where:
Base-Base interactions energy: -583.813
where: short stacking energy: -228.581
Base-Backbone interact. energy: 1.610
local terms energy: -257.125101
where:
bonds (distance) C4'-P energy: -59.570
bonds (distance) P-C4' energy: -50.701
flat angles C4'-P-C4' energy: -52.159
flat angles P-C4'-P energy: -26.494
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: 5, replica: 5
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -801.227004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.227004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.227004 (E_RNA)
where:
Base-Base interactions energy: -544.955
where: short stacking energy: -231.702
Base-Backbone interact. energy: -0.217
local terms energy: -256.055365
where:
bonds (distance) C4'-P energy: -45.575
bonds (distance) P-C4' energy: -47.942
flat angles C4'-P-C4' energy: -52.365
flat angles P-C4'-P energy: -40.758
tors. eta vs tors. theta energy: -69.416
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: 4
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -802.309297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.309297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.309297 (E_RNA)
where:
Base-Base interactions energy: -550.487
where: short stacking energy: -234.586
Base-Backbone interact. energy: 0.865
local terms energy: -252.687394
where:
bonds (distance) C4'-P energy: -45.889
bonds (distance) P-C4' energy: -50.916
flat angles C4'-P-C4' energy: -58.735
flat angles P-C4'-P energy: -30.380
tors. eta vs tors. theta energy: -66.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -748.363085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.363085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.363085 (E_RNA)
where:
Base-Base interactions energy: -508.642
where: short stacking energy: -212.070
Base-Backbone interact. energy: 0.064
local terms energy: -239.785046
where:
bonds (distance) C4'-P energy: -43.358
bonds (distance) P-C4' energy: -45.316
flat angles C4'-P-C4' energy: -51.573
flat angles P-C4'-P energy: -37.879
tors. eta vs tors. theta energy: -61.659
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: 9
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -645.550915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.550915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.550915 (E_RNA)
where:
Base-Base interactions energy: -437.791
where: short stacking energy: -184.738
Base-Backbone interact. energy: -1.026
local terms energy: -206.733964
where:
bonds (distance) C4'-P energy: -36.626
bonds (distance) P-C4' energy: -38.955
flat angles C4'-P-C4' energy: -45.500
flat angles P-C4'-P energy: -34.969
tors. eta vs tors. theta energy: -50.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -554.814886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.814886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.814886 (E_RNA)
where:
Base-Base interactions energy: -365.930
where: short stacking energy: -157.583
Base-Backbone interact. energy: -1.182
local terms energy: -187.703030
where:
bonds (distance) C4'-P energy: -39.880
bonds (distance) P-C4' energy: -39.847
flat angles C4'-P-C4' energy: -41.225
flat angles P-C4'-P energy: -29.982
tors. eta vs tors. theta energy: -36.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -230.726075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.726075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.726075 (E_RNA)
where:
Base-Base interactions energy: -95.070
where: short stacking energy: -89.262
Base-Backbone interact. energy: -1.282
local terms energy: -134.374261
where:
bonds (distance) C4'-P energy: -41.450
bonds (distance) P-C4' energy: -43.478
flat angles C4'-P-C4' energy: -39.206
flat angles P-C4'-P energy: -15.497
tors. eta vs tors. theta energy: 5.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -916.662244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.662244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.662244 (E_RNA)
where:
Base-Base interactions energy: -644.914
where: short stacking energy: -258.604
Base-Backbone interact. energy: 0.887
local terms energy: -272.635535
where:
bonds (distance) C4'-P energy: -55.147
bonds (distance) P-C4' energy: -54.861
flat angles C4'-P-C4' energy: -55.631
flat angles P-C4'-P energy: -39.225
tors. eta vs tors. theta energy: -67.771
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: 1
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -926.627028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.627028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.627028 (E_RNA)
where:
Base-Base interactions energy: -660.035
where: short stacking energy: -287.763
Base-Backbone interact. energy: 1.885
local terms energy: -268.477185
where:
bonds (distance) C4'-P energy: -38.187
bonds (distance) P-C4' energy: -50.717
flat angles C4'-P-C4' energy: -55.521
flat angles P-C4'-P energy: -39.849
tors. eta vs tors. theta energy: -84.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -890.659067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.659067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.659067 (E_RNA)
where:
Base-Base interactions energy: -622.214
where: short stacking energy: -267.782
Base-Backbone interact. energy: 0.770
local terms energy: -269.215524
where:
bonds (distance) C4'-P energy: -50.422
bonds (distance) P-C4' energy: -49.269
flat angles C4'-P-C4' energy: -59.107
flat angles P-C4'-P energy: -32.543
tors. eta vs tors. theta energy: -77.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -827.124802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.124802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.124802 (E_RNA)
where:
Base-Base interactions energy: -562.255
where: short stacking energy: -238.714
Base-Backbone interact. energy: -0.496
local terms energy: -264.373433
where:
bonds (distance) C4'-P energy: -52.634
bonds (distance) P-C4' energy: -45.664
flat angles C4'-P-C4' energy: -61.177
flat angles P-C4'-P energy: -33.657
tors. eta vs tors. theta energy: -71.240
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: 337
Temperature: 1.100000
Total energy: -834.163455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.163455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.163455 (E_RNA)
where:
Base-Base interactions energy: -583.612
where: short stacking energy: -242.345
Base-Backbone interact. energy: -1.302
local terms energy: -249.250184
where:
bonds (distance) C4'-P energy: -41.834
bonds (distance) P-C4' energy: -42.758
flat angles C4'-P-C4' energy: -55.759
flat angles P-C4'-P energy: -37.780
tors. eta vs tors. theta energy: -71.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -830.095401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.095401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.095401 (E_RNA)
where:
Base-Base interactions energy: -563.499
where: short stacking energy: -254.368
Base-Backbone interact. energy: -1.603
local terms energy: -264.993357
where:
bonds (distance) C4'-P energy: -41.994
bonds (distance) P-C4' energy: -45.738
flat angles C4'-P-C4' energy: -58.040
flat angles P-C4'-P energy: -42.044
tors. eta vs tors. theta energy: -77.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -722.684133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.684133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.684133 (E_RNA)
where:
Base-Base interactions energy: -485.760
where: short stacking energy: -211.318
Base-Backbone interact. energy: -1.245
local terms energy: -235.678905
where:
bonds (distance) C4'-P energy: -54.231
bonds (distance) P-C4' energy: -46.100
flat angles C4'-P-C4' energy: -41.130
flat angles P-C4'-P energy: -37.922
tors. eta vs tors. theta energy: -56.296
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: 337
Temperature: 1.250000
Total energy: -674.480983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.480983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.480983 (E_RNA)
where:
Base-Base interactions energy: -468.824
where: short stacking energy: -209.384
Base-Backbone interact. energy: -1.653
local terms energy: -204.003815
where:
bonds (distance) C4'-P energy: -32.380
bonds (distance) P-C4' energy: -42.737
flat angles C4'-P-C4' energy: -49.406
flat angles P-C4'-P energy: -26.661
tors. eta vs tors. theta energy: -52.820
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: 7
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -586.509168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.509168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.509168 (E_RNA)
where:
Base-Base interactions energy: -391.790
where: short stacking energy: -149.115
Base-Backbone interact. energy: -0.776
local terms energy: -193.942993
where:
bonds (distance) C4'-P energy: -44.952
bonds (distance) P-C4' energy: -39.226
flat angles C4'-P-C4' energy: -40.425
flat angles P-C4'-P energy: -34.061
tors. eta vs tors. theta energy: -35.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -233.601798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.601798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.601798 (E_RNA)
where:
Base-Base interactions energy: -93.613
where: short stacking energy: -83.707
Base-Backbone interact. energy: -0.623
local terms energy: -139.366325
where:
bonds (distance) C4'-P energy: -45.906
bonds (distance) P-C4' energy: -44.848
flat angles C4'-P-C4' energy: -30.244
flat angles P-C4'-P energy: -14.261
tors. eta vs tors. theta energy: -4.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -930.772023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.772023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.772023 (E_RNA)
where:
Base-Base interactions energy: -639.460
where: short stacking energy: -279.421
Base-Backbone interact. energy: 0.098
local terms energy: -291.410175
where:
bonds (distance) C4'-P energy: -55.520
bonds (distance) P-C4' energy: -43.942
flat angles C4'-P-C4' energy: -54.526
flat angles P-C4'-P energy: -49.121
tors. eta vs tors. theta energy: -88.302
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: 2, replica: 2
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -949.247559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.247559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.247559 (E_RNA)
where:
Base-Base interactions energy: -659.069
where: short stacking energy: -286.460
Base-Backbone interact. energy: -1.978
local terms energy: -288.200191
where:
bonds (distance) C4'-P energy: -53.698
bonds (distance) P-C4' energy: -53.646
flat angles C4'-P-C4' energy: -61.018
flat angles P-C4'-P energy: -43.645
tors. eta vs tors. theta energy: -76.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -890.737808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.737808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.737808 (E_RNA)
where:
Base-Base interactions energy: -610.160
where: short stacking energy: -260.093
Base-Backbone interact. energy: -0.225
local terms energy: -280.353464
where:
bonds (distance) C4'-P energy: -51.048
bonds (distance) P-C4' energy: -50.161
flat angles C4'-P-C4' energy: -55.440
flat angles P-C4'-P energy: -36.405
tors. eta vs tors. theta energy: -87.299
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: 5
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -842.566586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.566586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.566586 (E_RNA)
where:
Base-Base interactions energy: -572.099
where: short stacking energy: -251.710
Base-Backbone interact. energy: -1.270
local terms energy: -269.197466
where:
bonds (distance) C4'-P energy: -38.774
bonds (distance) P-C4' energy: -61.924
flat angles C4'-P-C4' energy: -56.577
flat angles P-C4'-P energy: -35.686
tors. eta vs tors. theta energy: -76.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -811.242561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.242561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.242561 (E_RNA)
where:
Base-Base interactions energy: -558.996
where: short stacking energy: -234.562
Base-Backbone interact. energy: -1.042
local terms energy: -251.204668
where:
bonds (distance) C4'-P energy: -43.882
bonds (distance) P-C4' energy: -42.230
flat angles C4'-P-C4' energy: -62.234
flat angles P-C4'-P energy: -36.856
tors. eta vs tors. theta energy: -66.003
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: 4
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -818.095652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.095652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.095652 (E_RNA)
where:
Base-Base interactions energy: -575.311
where: short stacking energy: -233.323
Base-Backbone interact. energy: -1.334
local terms energy: -241.450710
where:
bonds (distance) C4'-P energy: -37.940
bonds (distance) P-C4' energy: -50.773
flat angles C4'-P-C4' energy: -52.549
flat angles P-C4'-P energy: -33.390
tors. eta vs tors. theta energy: -66.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -745.230259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.230259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.230259 (E_RNA)
where:
Base-Base interactions energy: -503.353
where: short stacking energy: -204.148
Base-Backbone interact. energy: -0.349
local terms energy: -241.528570
where:
bonds (distance) C4'-P energy: -48.105
bonds (distance) P-C4' energy: -52.869
flat angles C4'-P-C4' energy: -48.696
flat angles P-C4'-P energy: -29.775
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: 8, replica: 9
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -620.724291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.724291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.724291 (E_RNA)
where:
Base-Base interactions energy: -405.851
where: short stacking energy: -180.166
Base-Backbone interact. energy: -0.040
local terms energy: -214.832955
where:
bonds (distance) C4'-P energy: -50.558
bonds (distance) P-C4' energy: -49.858
flat angles C4'-P-C4' energy: -42.324
flat angles P-C4'-P energy: -29.111
tors. eta vs tors. theta energy: -42.982
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: 7
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -537.669251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.669251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.669251 (E_RNA)
where:
Base-Base interactions energy: -347.439
where: short stacking energy: -144.552
Base-Backbone interact. energy: -0.925
local terms energy: -189.305209
where:
bonds (distance) C4'-P energy: -43.362
bonds (distance) P-C4' energy: -34.608
flat angles C4'-P-C4' energy: -49.752
flat angles P-C4'-P energy: -33.638
tors. eta vs tors. theta energy: -27.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -268.320984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.320984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.320984 (E_RNA)
where:
Base-Base interactions energy: -119.529
where: short stacking energy: -76.860
Base-Backbone interact. energy: 0.601
local terms energy: -149.392904
where:
bonds (distance) C4'-P energy: -45.797
bonds (distance) P-C4' energy: -42.723
flat angles C4'-P-C4' energy: -39.956
flat angles P-C4'-P energy: -27.306
tors. eta vs tors. theta energy: 6.388
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: 1
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -961.480897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.480897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.480897 (E_RNA)
where:
Base-Base interactions energy: -662.392
where: short stacking energy: -294.330
Base-Backbone interact. energy: -0.437
local terms energy: -298.652765
where:
bonds (distance) C4'-P energy: -48.026
bonds (distance) P-C4' energy: -53.566
flat angles C4'-P-C4' energy: -65.020
flat angles P-C4'-P energy: -43.613
tors. eta vs tors. theta energy: -88.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -919.903495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.903495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.903495 (E_RNA)
where:
Base-Base interactions energy: -641.148
where: short stacking energy: -263.158
Base-Backbone interact. energy: -2.302
local terms energy: -276.453523
where:
bonds (distance) C4'-P energy: -47.768
bonds (distance) P-C4' energy: -52.258
flat angles C4'-P-C4' energy: -60.009
flat angles P-C4'-P energy: -40.173
tors. eta vs tors. theta energy: -76.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -882.229561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.229561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.229561 (E_RNA)
where:
Base-Base interactions energy: -609.420
where: short stacking energy: -277.831
Base-Backbone interact. energy: -0.884
local terms energy: -271.925395
where:
bonds (distance) C4'-P energy: -47.231
bonds (distance) P-C4' energy: -46.984
flat angles C4'-P-C4' energy: -55.400
flat angles P-C4'-P energy: -41.534
tors. eta vs tors. theta energy: -80.776
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: 10
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -860.626398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.626398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.626398 (E_RNA)
where:
Base-Base interactions energy: -601.285
where: short stacking energy: -265.579
Base-Backbone interact. energy: -0.518
local terms energy: -258.823548
where:
bonds (distance) C4'-P energy: -42.815
bonds (distance) P-C4' energy: -44.423
flat angles C4'-P-C4' energy: -51.461
flat angles P-C4'-P energy: -43.475
tors. eta vs tors. theta energy: -76.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -824.009718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.009718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.009718 (E_RNA)
where:
Base-Base interactions energy: -559.508
where: short stacking energy: -243.671
Base-Backbone interact. energy: -0.855
local terms energy: -263.646759
where:
bonds (distance) C4'-P energy: -38.243
bonds (distance) P-C4' energy: -46.000
flat angles C4'-P-C4' energy: -55.409
flat angles P-C4'-P energy: -42.466
tors. eta vs tors. theta energy: -81.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -784.137113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.137113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.137113 (E_RNA)
where:
Base-Base interactions energy: -538.153
where: short stacking energy: -235.438
Base-Backbone interact. energy: -1.717
local terms energy: -244.266809
where:
bonds (distance) C4'-P energy: -53.488
bonds (distance) P-C4' energy: -42.781
flat angles C4'-P-C4' energy: -45.196
flat angles P-C4'-P energy: -34.664
tors. eta vs tors. theta energy: -68.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -713.250376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.250376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.250376 (E_RNA)
where:
Base-Base interactions energy: -483.597
where: short stacking energy: -198.116
Base-Backbone interact. energy: -0.658
local terms energy: -228.995003
where:
bonds (distance) C4'-P energy: -58.091
bonds (distance) P-C4' energy: -43.315
flat angles C4'-P-C4' energy: -49.718
flat angles P-C4'-P energy: -25.247
tors. eta vs tors. theta energy: -52.625
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: 9
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -670.175097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.175097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.175097 (E_RNA)
where:
Base-Base interactions energy: -446.104
where: short stacking energy: -196.295
Base-Backbone interact. energy: 0.048
local terms energy: -224.119382
where:
bonds (distance) C4'-P energy: -37.584
bonds (distance) P-C4' energy: -53.522
flat angles C4'-P-C4' energy: -48.656
flat angles P-C4'-P energy: -31.393
tors. eta vs tors. theta energy: -52.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -509.987661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.987661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.987661 (E_RNA)
where:
Base-Base interactions energy: -309.313
where: short stacking energy: -144.050
Base-Backbone interact. energy: -1.241
local terms energy: -199.434164
where:
bonds (distance) C4'-P energy: -45.481
bonds (distance) P-C4' energy: -54.090
flat angles C4'-P-C4' energy: -37.428
flat angles P-C4'-P energy: -26.755
tors. eta vs tors. theta energy: -35.681
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: 6
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -253.792483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.792483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.792483 (E_RNA)
where:
Base-Base interactions energy: -126.712
where: short stacking energy: -80.940
Base-Backbone interact. energy: -0.765
local terms energy: -126.315343
where:
bonds (distance) C4'-P energy: -43.817
bonds (distance) P-C4' energy: -34.611
flat angles C4'-P-C4' energy: -37.777
flat angles P-C4'-P energy: -14.707
tors. eta vs tors. theta energy: 4.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -947.381475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.381475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.381475 (E_RNA)
where:
Base-Base interactions energy: -654.049
where: short stacking energy: -277.024
Base-Backbone interact. energy: 0.183
local terms energy: -293.515404
where:
bonds (distance) C4'-P energy: -61.527
bonds (distance) P-C4' energy: -47.776
flat angles C4'-P-C4' energy: -63.656
flat angles P-C4'-P energy: -34.860
tors. eta vs tors. theta energy: -85.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -930.834462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.834462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.834462 (E_RNA)
where:
Base-Base interactions energy: -649.496
where: short stacking energy: -259.520
Base-Backbone interact. energy: -2.126
local terms energy: -279.212322
where:
bonds (distance) C4'-P energy: -49.128
bonds (distance) P-C4' energy: -52.889
flat angles C4'-P-C4' energy: -60.163
flat angles P-C4'-P energy: -40.394
tors. eta vs tors. theta energy: -76.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -871.598572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.598572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.598572 (E_RNA)
where:
Base-Base interactions energy: -591.109
where: short stacking energy: -253.682
Base-Backbone interact. energy: -0.230
local terms energy: -280.260052
where:
bonds (distance) C4'-P energy: -50.502
bonds (distance) P-C4' energy: -58.257
flat angles C4'-P-C4' energy: -55.415
flat angles P-C4'-P energy: -39.995
tors. eta vs tors. theta energy: -76.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -869.629114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.629114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.629114 (E_RNA)
where:
Base-Base interactions energy: -607.012
where: short stacking energy: -257.654
Base-Backbone interact. energy: 1.103
local terms energy: -263.720702
where:
bonds (distance) C4'-P energy: -40.246
bonds (distance) P-C4' energy: -52.543
flat angles C4'-P-C4' energy: -59.303
flat angles P-C4'-P energy: -38.090
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: 5, replica: 5
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -784.622588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.622588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.622588 (E_RNA)
where:
Base-Base interactions energy: -541.131
where: short stacking energy: -231.536
Base-Backbone interact. energy: -0.165
local terms energy: -243.326575
where:
bonds (distance) C4'-P energy: -45.988
bonds (distance) P-C4' energy: -55.829
flat angles C4'-P-C4' energy: -51.359
flat angles P-C4'-P energy: -32.881
tors. eta vs tors. theta energy: -57.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -833.977827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.977827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.977827 (E_RNA)
where:
Base-Base interactions energy: -573.654
where: short stacking energy: -238.479
Base-Backbone interact. energy: 0.249
local terms energy: -260.572324
where:
bonds (distance) C4'-P energy: -37.636
bonds (distance) P-C4' energy: -45.478
flat angles C4'-P-C4' energy: -60.965
flat angles P-C4'-P energy: -39.304
tors. eta vs tors. theta energy: -77.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -707.832973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.832973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.832973 (E_RNA)
where:
Base-Base interactions energy: -476.267
where: short stacking energy: -202.879
Base-Backbone interact. energy: -0.233
local terms energy: -231.333432
where:
bonds (distance) C4'-P energy: -39.727
bonds (distance) P-C4' energy: -50.513
flat angles C4'-P-C4' energy: -42.359
flat angles P-C4'-P energy: -36.634
tors. eta vs tors. theta energy: -62.100
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: 3
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -688.147732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.147732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.147732 (E_RNA)
where:
Base-Base interactions energy: -467.773
where: short stacking energy: -199.931
Base-Backbone interact. energy: -1.264
local terms energy: -219.111042
where:
bonds (distance) C4'-P energy: -45.240
bonds (distance) P-C4' energy: -43.051
flat angles C4'-P-C4' energy: -50.088
flat angles P-C4'-P energy: -25.680
tors. eta vs tors. theta energy: -55.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -506.212158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.212158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.212158 (E_RNA)
where:
Base-Base interactions energy: -312.750
where: short stacking energy: -152.472
Base-Backbone interact. energy: 2.644
local terms energy: -196.106377
where:
bonds (distance) C4'-P energy: -44.196
bonds (distance) P-C4' energy: -37.152
flat angles C4'-P-C4' energy: -59.962
flat angles P-C4'-P energy: -23.642
tors. eta vs tors. theta energy: -31.155
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: 6
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -233.517420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.517420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.517420 (E_RNA)
where:
Base-Base interactions energy: -79.121
where: short stacking energy: -66.208
Base-Backbone interact. energy: -0.598
local terms energy: -153.798774
where:
bonds (distance) C4'-P energy: -41.868
bonds (distance) P-C4' energy: -48.415
flat angles C4'-P-C4' energy: -33.641
flat angles P-C4'-P energy: -25.175
tors. eta vs tors. theta energy: -4.699
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: 1
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -954.074492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.074492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.074492 (E_RNA)
where:
Base-Base interactions energy: -660.681
where: short stacking energy: -285.462
Base-Backbone interact. energy: -0.744
local terms energy: -292.649643
where:
bonds (distance) C4'-P energy: -57.192
bonds (distance) P-C4' energy: -58.060
flat angles C4'-P-C4' energy: -56.975
flat angles P-C4'-P energy: -36.690
tors. eta vs tors. theta energy: -83.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -944.044736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.044736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.044736 (E_RNA)
where:
Base-Base interactions energy: -665.297
where: short stacking energy: -271.023
Base-Backbone interact. energy: -0.557
local terms energy: -278.190455
where:
bonds (distance) C4'-P energy: -51.104
bonds (distance) P-C4' energy: -49.316
flat angles C4'-P-C4' energy: -59.553
flat angles P-C4'-P energy: -39.020
tors. eta vs tors. theta energy: -79.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -859.067515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.067515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.067515 (E_RNA)
where:
Base-Base interactions energy: -600.047
where: short stacking energy: -266.477
Base-Backbone interact. energy: -0.373
local terms energy: -258.648091
where:
bonds (distance) C4'-P energy: -48.056
bonds (distance) P-C4' energy: -46.939
flat angles C4'-P-C4' energy: -53.482
flat angles P-C4'-P energy: -39.258
tors. eta vs tors. theta energy: -70.913
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: 8
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -862.921003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.921003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.921003 (E_RNA)
where:
Base-Base interactions energy: -597.504
where: short stacking energy: -264.162
Base-Backbone interact. energy: 0.146
local terms energy: -265.562850
where:
bonds (distance) C4'-P energy: -44.389
bonds (distance) P-C4' energy: -45.757
flat angles C4'-P-C4' energy: -53.696
flat angles P-C4'-P energy: -42.489
tors. eta vs tors. theta energy: -79.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -780.552773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.552773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.552773 (E_RNA)
where:
Base-Base interactions energy: -524.326
where: short stacking energy: -213.345
Base-Backbone interact. energy: -0.714
local terms energy: -255.512759
where:
bonds (distance) C4'-P energy: -56.106
bonds (distance) P-C4' energy: -48.687
flat angles C4'-P-C4' energy: -46.404
flat angles P-C4'-P energy: -39.246
tors. eta vs tors. theta energy: -65.070
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: 4
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -823.084614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.084614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.084614 (E_RNA)
where:
Base-Base interactions energy: -559.709
where: short stacking energy: -228.080
Base-Backbone interact. energy: -0.950
local terms energy: -262.425184
where:
bonds (distance) C4'-P energy: -47.612
bonds (distance) P-C4' energy: -45.464
flat angles C4'-P-C4' energy: -56.076
flat angles P-C4'-P energy: -42.990
tors. eta vs tors. theta energy: -70.283
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: 9
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -710.573195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.573195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.573195 (E_RNA)
where:
Base-Base interactions energy: -472.938
where: short stacking energy: -198.322
Base-Backbone interact. energy: -0.643
local terms energy: -236.992247
where:
bonds (distance) C4'-P energy: -37.055
bonds (distance) P-C4' energy: -56.483
flat angles C4'-P-C4' energy: -53.218
flat angles P-C4'-P energy: -32.449
tors. eta vs tors. theta energy: -57.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -705.586471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.586471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.586471 (E_RNA)
where:
Base-Base interactions energy: -470.258
where: short stacking energy: -205.732
Base-Backbone interact. energy: 0.101
local terms energy: -235.429798
where:
bonds (distance) C4'-P energy: -44.557
bonds (distance) P-C4' energy: -45.363
flat angles C4'-P-C4' energy: -47.469
flat angles P-C4'-P energy: -36.976
tors. eta vs tors. theta energy: -61.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -499.839761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.839761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.839761 (E_RNA)
where:
Base-Base interactions energy: -324.442
where: short stacking energy: -130.658
Base-Backbone interact. energy: 2.500
local terms energy: -177.898110
where:
bonds (distance) C4'-P energy: -41.063
bonds (distance) P-C4' energy: -29.617
flat angles C4'-P-C4' energy: -43.163
flat angles P-C4'-P energy: -37.024
tors. eta vs tors. theta energy: -27.030
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: 10, replica: 6
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -228.452952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.452952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.452952 (E_RNA)
where:
Base-Base interactions energy: -81.901
where: short stacking energy: -57.282
Base-Backbone interact. energy: 1.282
local terms energy: -147.833259
where:
bonds (distance) C4'-P energy: -48.670
bonds (distance) P-C4' energy: -47.262
flat angles C4'-P-C4' energy: -35.321
flat angles P-C4'-P energy: -19.100
tors. eta vs tors. theta energy: 2.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -939.830109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.830109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.830109 (E_RNA)
where:
Base-Base interactions energy: -652.463
where: short stacking energy: -274.605
Base-Backbone interact. energy: 0.805
local terms energy: -288.172567
where:
bonds (distance) C4'-P energy: -53.468
bonds (distance) P-C4' energy: -54.785
flat angles C4'-P-C4' energy: -55.722
flat angles P-C4'-P energy: -39.515
tors. eta vs tors. theta energy: -84.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -920.876591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.876591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.876591 (E_RNA)
where:
Base-Base interactions energy: -643.292
where: short stacking energy: -247.710
Base-Backbone interact. energy: -3.113
local terms energy: -274.471160
where:
bonds (distance) C4'-P energy: -55.960
bonds (distance) P-C4' energy: -52.514
flat angles C4'-P-C4' energy: -50.788
flat angles P-C4'-P energy: -39.225
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: 3, replica: 8
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -896.829697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.829697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.829697 (E_RNA)
where:
Base-Base interactions energy: -631.705
where: short stacking energy: -269.766
Base-Backbone interact. energy: -0.075
local terms energy: -265.050279
where:
bonds (distance) C4'-P energy: -46.546
bonds (distance) P-C4' energy: -44.767
flat angles C4'-P-C4' energy: -62.001
flat angles P-C4'-P energy: -33.451
tors. eta vs tors. theta energy: -78.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -886.336925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.336925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.336925 (E_RNA)
where:
Base-Base interactions energy: -614.199
where: short stacking energy: -268.917
Base-Backbone interact. energy: -0.236
local terms energy: -271.901986
where:
bonds (distance) C4'-P energy: -43.111
bonds (distance) P-C4' energy: -46.654
flat angles C4'-P-C4' energy: -57.110
flat angles P-C4'-P energy: -43.456
tors. eta vs tors. theta energy: -81.570
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: 4
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -821.347323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.347323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.347323 (E_RNA)
where:
Base-Base interactions energy: -562.865
where: short stacking energy: -228.624
Base-Backbone interact. energy: -0.296
local terms energy: -258.186380
where:
bonds (distance) C4'-P energy: -39.069
bonds (distance) P-C4' energy: -58.423
flat angles C4'-P-C4' energy: -53.635
flat angles P-C4'-P energy: -42.897
tors. eta vs tors. theta energy: -64.162
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: 6, replica: 5
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -779.878254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.878254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.878254 (E_RNA)
where:
Base-Base interactions energy: -564.623
where: short stacking energy: -232.021
Base-Backbone interact. energy: -1.636
local terms energy: -213.619269
where:
bonds (distance) C4'-P energy: -25.232
bonds (distance) P-C4' energy: -42.973
flat angles C4'-P-C4' energy: -58.671
flat angles P-C4'-P energy: -33.913
tors. eta vs tors. theta energy: -52.831
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: 3
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -727.687205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.687205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.687205 (E_RNA)
where:
Base-Base interactions energy: -493.005
where: short stacking energy: -204.332
Base-Backbone interact. energy: -0.399
local terms energy: -234.283679
where:
bonds (distance) C4'-P energy: -45.589
bonds (distance) P-C4' energy: -50.954
flat angles C4'-P-C4' energy: -55.857
flat angles P-C4'-P energy: -31.402
tors. eta vs tors. theta energy: -50.482
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: 9
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -657.265187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.265187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.265187 (E_RNA)
where:
Base-Base interactions energy: -436.193
where: short stacking energy: -184.389
Base-Backbone interact. energy: -1.319
local terms energy: -219.753055
where:
bonds (distance) C4'-P energy: -41.414
bonds (distance) P-C4' energy: -39.249
flat angles C4'-P-C4' energy: -50.515
flat angles P-C4'-P energy: -34.789
tors. eta vs tors. theta energy: -53.786
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: 7
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -493.992987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.992987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.992987 (E_RNA)
where:
Base-Base interactions energy: -302.293
where: short stacking energy: -124.792
Base-Backbone interact. energy: -1.266
local terms energy: -190.434238
where:
bonds (distance) C4'-P energy: -48.631
bonds (distance) P-C4' energy: -45.771
flat angles C4'-P-C4' energy: -43.152
flat angles P-C4'-P energy: -32.109
tors. eta vs tors. theta energy: -20.771
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: 6
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -239.663941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.663941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.663941 (E_RNA)
where:
Base-Base interactions energy: -106.083
where: short stacking energy: -69.253
Base-Backbone interact. energy: 0.968
local terms energy: -134.548484
where:
bonds (distance) C4'-P energy: -33.635
bonds (distance) P-C4' energy: -41.902
flat angles C4'-P-C4' energy: -39.051
flat angles P-C4'-P energy: -22.809
tors. eta vs tors. theta energy: 2.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -931.166026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.166026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.166026 (E_RNA)
where:
Base-Base interactions energy: -634.281
where: short stacking energy: -275.842
Base-Backbone interact. energy: -0.846
local terms energy: -296.038454
where:
bonds (distance) C4'-P energy: -51.729
bonds (distance) P-C4' energy: -53.209
flat angles C4'-P-C4' energy: -61.203
flat angles P-C4'-P energy: -44.349
tors. eta vs tors. theta energy: -85.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -921.253508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.253508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.253508 (E_RNA)
where:
Base-Base interactions energy: -642.591
where: short stacking energy: -264.284
Base-Backbone interact. energy: -1.666
local terms energy: -276.997269
where:
bonds (distance) C4'-P energy: -48.062
bonds (distance) P-C4' energy: -46.993
flat angles C4'-P-C4' energy: -53.693
flat angles P-C4'-P energy: -47.734
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: 3, replica: 8
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -894.039582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.039582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.039582 (E_RNA)
where:
Base-Base interactions energy: -618.355
where: short stacking energy: -271.581
Base-Backbone interact. energy: -0.642
local terms energy: -275.043063
where:
bonds (distance) C4'-P energy: -39.242
bonds (distance) P-C4' energy: -57.337
flat angles C4'-P-C4' energy: -61.322
flat angles P-C4'-P energy: -32.646
tors. eta vs tors. theta energy: -84.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -839.736410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.736410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.736410 (E_RNA)
where:
Base-Base interactions energy: -572.371
where: short stacking energy: -248.505
Base-Backbone interact. energy: -0.333
local terms energy: -267.032813
where:
bonds (distance) C4'-P energy: -44.745
bonds (distance) P-C4' energy: -48.884
flat angles C4'-P-C4' energy: -61.178
flat angles P-C4'-P energy: -41.367
tors. eta vs tors. theta energy: -70.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -836.964833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.964833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.964833 (E_RNA)
where:
Base-Base interactions energy: -573.714
where: short stacking energy: -230.753
Base-Backbone interact. energy: -0.546
local terms energy: -262.704931
where:
bonds (distance) C4'-P energy: -48.539
bonds (distance) P-C4' energy: -47.094
flat angles C4'-P-C4' energy: -57.509
flat angles P-C4'-P energy: -37.145
tors. eta vs tors. theta energy: -72.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -771.892320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.892320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.892320 (E_RNA)
where:
Base-Base interactions energy: -525.605
where: short stacking energy: -205.513
Base-Backbone interact. energy: -0.874
local terms energy: -245.413441
where:
bonds (distance) C4'-P energy: -49.131
bonds (distance) P-C4' energy: -60.051
flat angles C4'-P-C4' energy: -45.950
flat angles P-C4'-P energy: -33.962
tors. eta vs tors. theta energy: -56.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -754.698515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.698515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.698515 (E_RNA)
where:
Base-Base interactions energy: -529.227
where: short stacking energy: -223.796
Base-Backbone interact. energy: -0.188
local terms energy: -225.283928
where:
bonds (distance) C4'-P energy: -35.112
bonds (distance) P-C4' energy: -31.272
flat angles C4'-P-C4' energy: -58.494
flat angles P-C4'-P energy: -36.525
tors. eta vs tors. theta energy: -63.881
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: 9
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -655.121669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.121669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.121669 (E_RNA)
where:
Base-Base interactions energy: -430.998
where: short stacking energy: -191.074
Base-Backbone interact. energy: -0.653
local terms energy: -223.470572
where:
bonds (distance) C4'-P energy: -48.424
bonds (distance) P-C4' energy: -45.842
flat angles C4'-P-C4' energy: -46.431
flat angles P-C4'-P energy: -35.638
tors. eta vs tors. theta energy: -47.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -548.900409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.900409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.900409 (E_RNA)
where:
Base-Base interactions energy: -364.091
where: short stacking energy: -156.690
Base-Backbone interact. energy: -0.731
local terms energy: -184.078113
where:
bonds (distance) C4'-P energy: -45.284
bonds (distance) P-C4' energy: -45.917
flat angles C4'-P-C4' energy: -51.261
flat angles P-C4'-P energy: -7.683
tors. eta vs tors. theta energy: -33.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -237.983710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.983710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.983710 (E_RNA)
where:
Base-Base interactions energy: -105.418
where: short stacking energy: -56.642
Base-Backbone interact. energy: 4.618
local terms energy: -137.183575
where:
bonds (distance) C4'-P energy: -33.262
bonds (distance) P-C4' energy: -51.594
flat angles C4'-P-C4' energy: -45.650
flat angles P-C4'-P energy: -22.733
tors. eta vs tors. theta energy: 16.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -951.672903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.672903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.672903 (E_RNA)
where:
Base-Base interactions energy: -655.530
where: short stacking energy: -272.242
Base-Backbone interact. energy: -2.391
local terms energy: -293.751880
where:
bonds (distance) C4'-P energy: -53.040
bonds (distance) P-C4' energy: -56.243
flat angles C4'-P-C4' energy: -52.659
flat angles P-C4'-P energy: -44.938
tors. eta vs tors. theta energy: -86.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -933.835057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.835057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.835057 (E_RNA)
where:
Base-Base interactions energy: -640.416
where: short stacking energy: -273.888
Base-Backbone interact. energy: 1.188
local terms energy: -294.607174
where:
bonds (distance) C4'-P energy: -55.791
bonds (distance) P-C4' energy: -47.607
flat angles C4'-P-C4' energy: -59.020
flat angles P-C4'-P energy: -45.857
tors. eta vs tors. theta energy: -86.332
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: 8
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -870.105842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.105842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.105842 (E_RNA)
where:
Base-Base interactions energy: -604.100
where: short stacking energy: -250.145
Base-Backbone interact. energy: -0.471
local terms energy: -265.534337
where:
bonds (distance) C4'-P energy: -48.880
bonds (distance) P-C4' energy: -52.036
flat angles C4'-P-C4' energy: -60.499
flat angles P-C4'-P energy: -34.050
tors. eta vs tors. theta energy: -70.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -840.663741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.663741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.663741 (E_RNA)
where:
Base-Base interactions energy: -591.930
where: short stacking energy: -251.758
Base-Backbone interact. energy: -1.049
local terms energy: -247.684637
where:
bonds (distance) C4'-P energy: -41.096
bonds (distance) P-C4' energy: -43.235
flat angles C4'-P-C4' energy: -50.302
flat angles P-C4'-P energy: -41.461
tors. eta vs tors. theta energy: -71.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -845.324326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.324326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.324326 (E_RNA)
where:
Base-Base interactions energy: -590.040
where: short stacking energy: -243.142
Base-Backbone interact. energy: -1.482
local terms energy: -253.801553
where:
bonds (distance) C4'-P energy: -42.208
bonds (distance) P-C4' energy: -48.774
flat angles C4'-P-C4' energy: -50.565
flat angles P-C4'-P energy: -37.194
tors. eta vs tors. theta energy: -75.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -783.099697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.099697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.099697 (E_RNA)
where:
Base-Base interactions energy: -547.688
where: short stacking energy: -231.224
Base-Backbone interact. energy: -0.958
local terms energy: -234.453962
where:
bonds (distance) C4'-P energy: -48.612
bonds (distance) P-C4' energy: -49.917
flat angles C4'-P-C4' energy: -50.436
flat angles P-C4'-P energy: -30.223
tors. eta vs tors. theta energy: -55.266
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: 3
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -735.904754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.904754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.904754 (E_RNA)
where:
Base-Base interactions energy: -507.416
where: short stacking energy: -205.313
Base-Backbone interact. energy: -0.930
local terms energy: -227.558976
where:
bonds (distance) C4'-P energy: -48.571
bonds (distance) P-C4' energy: -38.603
flat angles C4'-P-C4' energy: -52.795
flat angles P-C4'-P energy: -34.822
tors. eta vs tors. theta energy: -52.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -685.475721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.475721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.475721 (E_RNA)
where:
Base-Base interactions energy: -457.459
where: short stacking energy: -202.737
Base-Backbone interact. energy: 0.524
local terms energy: -228.540458
where:
bonds (distance) C4'-P energy: -52.363
bonds (distance) P-C4' energy: -43.067
flat angles C4'-P-C4' energy: -42.409
flat angles P-C4'-P energy: -35.134
tors. eta vs tors. theta energy: -55.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -596.573417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.573417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.573417 (E_RNA)
where:
Base-Base interactions energy: -382.763
where: short stacking energy: -164.959
Base-Backbone interact. energy: -1.015
local terms energy: -212.795959
where:
bonds (distance) C4'-P energy: -41.431
bonds (distance) P-C4' energy: -54.000
flat angles C4'-P-C4' energy: -44.290
flat angles P-C4'-P energy: -32.365
tors. eta vs tors. theta energy: -40.710
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: 6
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -234.491549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.491549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.491549 (E_RNA)
where:
Base-Base interactions energy: -84.932
where: short stacking energy: -60.349
Base-Backbone interact. energy: -1.998
local terms energy: -147.561882
where:
bonds (distance) C4'-P energy: -40.411
bonds (distance) P-C4' energy: -51.806
flat angles C4'-P-C4' energy: -36.839
flat angles P-C4'-P energy: -27.056
tors. eta vs tors. theta energy: 8.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -960.637098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.637098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.637098 (E_RNA)
where:
Base-Base interactions energy: -672.232
where: short stacking energy: -286.170
Base-Backbone interact. energy: -0.831
local terms energy: -287.574599
where:
bonds (distance) C4'-P energy: -51.106
bonds (distance) P-C4' energy: -53.749
flat angles C4'-P-C4' energy: -59.416
flat angles P-C4'-P energy: -38.652
tors. eta vs tors. theta energy: -84.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -919.223148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.223148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.223148 (E_RNA)
where:
Base-Base interactions energy: -639.542
where: short stacking energy: -265.846
Base-Backbone interact. energy: -0.916
local terms energy: -278.764600
where:
bonds (distance) C4'-P energy: -58.215
bonds (distance) P-C4' energy: -49.207
flat angles C4'-P-C4' energy: -57.430
flat angles P-C4'-P energy: -32.364
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: 8
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -895.315833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.315833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.315833 (E_RNA)
where:
Base-Base interactions energy: -601.715
where: short stacking energy: -267.936
Base-Backbone interact. energy: -1.620
local terms energy: -291.980835
where:
bonds (distance) C4'-P energy: -52.399
bonds (distance) P-C4' energy: -52.709
flat angles C4'-P-C4' energy: -61.603
flat angles P-C4'-P energy: -38.587
tors. eta vs tors. theta energy: -86.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -861.898923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.898923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.898923 (E_RNA)
where:
Base-Base interactions energy: -574.811
where: short stacking energy: -250.608
Base-Backbone interact. energy: 1.042
local terms energy: -288.130288
where:
bonds (distance) C4'-P energy: -48.500
bonds (distance) P-C4' energy: -60.533
flat angles C4'-P-C4' energy: -58.265
flat angles P-C4'-P energy: -39.143
tors. eta vs tors. theta energy: -81.689
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: 345
Temperature: 1.100000
Total energy: -853.693569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.693569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.693569 (E_RNA)
where:
Base-Base interactions energy: -574.330
where: short stacking energy: -245.867
Base-Backbone interact. energy: -1.570
local terms energy: -277.793364
where:
bonds (distance) C4'-P energy: -55.917
bonds (distance) P-C4' energy: -53.733
flat angles C4'-P-C4' energy: -58.935
flat angles P-C4'-P energy: -33.424
tors. eta vs tors. theta energy: -75.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -799.950842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.950842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.950842 (E_RNA)
where:
Base-Base interactions energy: -538.592
where: short stacking energy: -220.321
Base-Backbone interact. energy: -1.287
local terms energy: -260.071995
where:
bonds (distance) C4'-P energy: -44.846
bonds (distance) P-C4' energy: -55.797
flat angles C4'-P-C4' energy: -59.252
flat angles P-C4'-P energy: -39.649
tors. eta vs tors. theta energy: -60.527
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: 3
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -707.855400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.855400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.855400 (E_RNA)
where:
Base-Base interactions energy: -493.509
where: short stacking energy: -204.266
Base-Backbone interact. energy: -1.016
local terms energy: -213.329679
where:
bonds (distance) C4'-P energy: -43.382
bonds (distance) P-C4' energy: -30.040
flat angles C4'-P-C4' energy: -48.806
flat angles P-C4'-P energy: -39.115
tors. eta vs tors. theta energy: -51.987
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: 9
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -642.339999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.339999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.339999 (E_RNA)
where:
Base-Base interactions energy: -428.175
where: short stacking energy: -183.805
Base-Backbone interact. energy: -0.873
local terms energy: -213.292071
where:
bonds (distance) C4'-P energy: -42.630
bonds (distance) P-C4' energy: -43.000
flat angles C4'-P-C4' energy: -51.003
flat angles P-C4'-P energy: -36.092
tors. eta vs tors. theta energy: -40.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -582.259790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.259790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.259790 (E_RNA)
where:
Base-Base interactions energy: -386.663
where: short stacking energy: -150.467
Base-Backbone interact. energy: -0.225
local terms energy: -195.371793
where:
bonds (distance) C4'-P energy: -48.416
bonds (distance) P-C4' energy: -44.775
flat angles C4'-P-C4' energy: -40.460
flat angles P-C4'-P energy: -28.995
tors. eta vs tors. theta energy: -32.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -222.302617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.302617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.302617 (E_RNA)
where:
Base-Base interactions energy: -69.355
where: short stacking energy: -61.450
Base-Backbone interact. energy: -1.104
local terms energy: -151.842986
where:
bonds (distance) C4'-P energy: -50.228
bonds (distance) P-C4' energy: -42.592
flat angles C4'-P-C4' energy: -39.315
flat angles P-C4'-P energy: -19.696
tors. eta vs tors. theta energy: -0.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -965.895222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.895222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.895222 (E_RNA)
where:
Base-Base interactions energy: -671.179
where: short stacking energy: -283.738
Base-Backbone interact. energy: -1.251
local terms energy: -293.465271
where:
bonds (distance) C4'-P energy: -42.587
bonds (distance) P-C4' energy: -53.266
flat angles C4'-P-C4' energy: -63.500
flat angles P-C4'-P energy: -46.816
tors. eta vs tors. theta energy: -87.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -925.000437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.000437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.000437 (E_RNA)
where:
Base-Base interactions energy: -645.444
where: short stacking energy: -255.719
Base-Backbone interact. energy: -2.429
local terms energy: -277.127299
where:
bonds (distance) C4'-P energy: -48.564
bonds (distance) P-C4' energy: -57.808
flat angles C4'-P-C4' energy: -57.191
flat angles P-C4'-P energy: -34.218
tors. eta vs tors. theta energy: -79.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -862.849373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.849373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.849373 (E_RNA)
where:
Base-Base interactions energy: -588.093
where: short stacking energy: -257.631
Base-Backbone interact. energy: -1.029
local terms energy: -273.727642
where:
bonds (distance) C4'-P energy: -51.676
bonds (distance) P-C4' energy: -53.888
flat angles C4'-P-C4' energy: -51.436
flat angles P-C4'-P energy: -40.009
tors. eta vs tors. theta energy: -76.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -899.884915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.884915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.884915 (E_RNA)
where:
Base-Base interactions energy: -613.263
where: short stacking energy: -276.608
Base-Backbone interact. energy: -0.013
local terms energy: -286.609171
where:
bonds (distance) C4'-P energy: -51.842
bonds (distance) P-C4' energy: -51.880
flat angles C4'-P-C4' energy: -52.810
flat angles P-C4'-P energy: -42.318
tors. eta vs tors. theta energy: -87.759
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: 5, replica: 10
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -832.308201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.308201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.308201 (E_RNA)
where:
Base-Base interactions energy: -575.504
where: short stacking energy: -221.676
Base-Backbone interact. energy: 0.570
local terms energy: -257.374184
where:
bonds (distance) C4'-P energy: -48.780
bonds (distance) P-C4' energy: -43.497
flat angles C4'-P-C4' energy: -54.751
flat angles P-C4'-P energy: -40.454
tors. eta vs tors. theta energy: -69.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -785.181207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.181207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.181207 (E_RNA)
where:
Base-Base interactions energy: -531.847
where: short stacking energy: -211.187
Base-Backbone interact. energy: -0.301
local terms energy: -253.032831
where:
bonds (distance) C4'-P energy: -51.611
bonds (distance) P-C4' energy: -39.210
flat angles C4'-P-C4' energy: -61.074
flat angles P-C4'-P energy: -39.184
tors. eta vs tors. theta energy: -61.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -704.919622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.919622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.919622 (E_RNA)
where:
Base-Base interactions energy: -491.010
where: short stacking energy: -203.475
Base-Backbone interact. energy: 1.410
local terms energy: -215.319249
where:
bonds (distance) C4'-P energy: -50.008
bonds (distance) P-C4' energy: -44.467
flat angles C4'-P-C4' energy: -41.590
flat angles P-C4'-P energy: -25.430
tors. eta vs tors. theta energy: -53.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -648.461123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.461123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.461123 (E_RNA)
where:
Base-Base interactions energy: -418.353
where: short stacking energy: -189.822
Base-Backbone interact. energy: 0.255
local terms energy: -230.363307
where:
bonds (distance) C4'-P energy: -45.498
bonds (distance) P-C4' energy: -36.743
flat angles C4'-P-C4' energy: -50.488
flat angles P-C4'-P energy: -37.919
tors. eta vs tors. theta energy: -59.715
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: 7
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -580.903271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.903271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.903271 (E_RNA)
where:
Base-Base interactions energy: -378.275
where: short stacking energy: -149.006
Base-Backbone interact. energy: 5.698
local terms energy: -208.327099
where:
bonds (distance) C4'-P energy: -44.889
bonds (distance) P-C4' energy: -52.806
flat angles C4'-P-C4' energy: -45.072
flat angles P-C4'-P energy: -31.772
tors. eta vs tors. theta energy: -33.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -222.950187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.950187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.950187 (E_RNA)
where:
Base-Base interactions energy: -66.686
where: short stacking energy: -56.120
Base-Backbone interact. energy: -0.445
local terms energy: -155.818594
where:
bonds (distance) C4'-P energy: -48.413
bonds (distance) P-C4' energy: -43.643
flat angles C4'-P-C4' energy: -47.223
flat angles P-C4'-P energy: -20.932
tors. eta vs tors. theta energy: 4.392
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: 1, replica: 1
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -941.303741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.303741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.303741 (E_RNA)
where:
Base-Base interactions energy: -656.850
where: short stacking energy: -277.796
Base-Backbone interact. energy: -0.936
local terms energy: -283.517641
where:
bonds (distance) C4'-P energy: -48.473
bonds (distance) P-C4' energy: -46.229
flat angles C4'-P-C4' energy: -54.260
flat angles P-C4'-P energy: -47.229
tors. eta vs tors. theta energy: -87.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -934.258240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.258240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.258240 (E_RNA)
where:
Base-Base interactions energy: -657.526
where: short stacking energy: -271.814
Base-Backbone interact. energy: -1.036
local terms energy: -275.696690
where:
bonds (distance) C4'-P energy: -49.822
bonds (distance) P-C4' energy: -55.454
flat angles C4'-P-C4' energy: -57.887
flat angles P-C4'-P energy: -37.691
tors. eta vs tors. theta energy: -74.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -857.964137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.964137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.964137 (E_RNA)
where:
Base-Base interactions energy: -588.321
where: short stacking energy: -245.178
Base-Backbone interact. energy: -0.707
local terms energy: -268.936475
where:
bonds (distance) C4'-P energy: -53.675
bonds (distance) P-C4' energy: -56.484
flat angles C4'-P-C4' energy: -55.506
flat angles P-C4'-P energy: -32.625
tors. eta vs tors. theta energy: -70.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -867.333059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.333059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.333059 (E_RNA)
where:
Base-Base interactions energy: -603.412
where: short stacking energy: -263.242
Base-Backbone interact. energy: -1.499
local terms energy: -262.422069
where:
bonds (distance) C4'-P energy: -41.206
bonds (distance) P-C4' energy: -47.363
flat angles C4'-P-C4' energy: -57.646
flat angles P-C4'-P energy: -34.650
tors. eta vs tors. theta energy: -81.557
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: 5, replica: 10
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -843.649599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.649599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.649599 (E_RNA)
where:
Base-Base interactions energy: -578.683
where: short stacking energy: -230.735
Base-Backbone interact. energy: -1.434
local terms energy: -263.531914
where:
bonds (distance) C4'-P energy: -48.566
bonds (distance) P-C4' energy: -44.488
flat angles C4'-P-C4' energy: -54.470
flat angles P-C4'-P energy: -42.243
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: 6, replica: 3
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -748.695682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.695682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.695682 (E_RNA)
where:
Base-Base interactions energy: -507.493
where: short stacking energy: -211.318
Base-Backbone interact. energy: -0.491
local terms energy: -240.711928
where:
bonds (distance) C4'-P energy: -45.244
bonds (distance) P-C4' energy: -44.438
flat angles C4'-P-C4' energy: -51.063
flat angles P-C4'-P energy: -44.216
tors. eta vs tors. theta energy: -55.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -762.017396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.017396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.017396 (E_RNA)
where:
Base-Base interactions energy: -537.657
where: short stacking energy: -233.021
Base-Backbone interact. energy: -0.346
local terms energy: -224.014855
where:
bonds (distance) C4'-P energy: -36.905
bonds (distance) P-C4' energy: -41.974
flat angles C4'-P-C4' energy: -47.820
flat angles P-C4'-P energy: -36.335
tors. eta vs tors. theta energy: -60.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -629.800551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.800551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.800551 (E_RNA)
where:
Base-Base interactions energy: -427.472
where: short stacking energy: -186.946
Base-Backbone interact. energy: -1.806
local terms energy: -200.522289
where:
bonds (distance) C4'-P energy: -42.499
bonds (distance) P-C4' energy: -31.797
flat angles C4'-P-C4' energy: -46.275
flat angles P-C4'-P energy: -34.608
tors. eta vs tors. theta energy: -45.343
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: 7
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -614.959130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.959130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.959130 (E_RNA)
where:
Base-Base interactions energy: -412.811
where: short stacking energy: -168.229
Base-Backbone interact. energy: -0.809
local terms energy: -201.338629
where:
bonds (distance) C4'-P energy: -31.109
bonds (distance) P-C4' energy: -48.605
flat angles C4'-P-C4' energy: -53.026
flat angles P-C4'-P energy: -24.894
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: 10, replica: 6
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -217.618944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.618944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.618944 (E_RNA)
where:
Base-Base interactions energy: -78.146
where: short stacking energy: -59.687
Base-Backbone interact. energy: 2.269
local terms energy: -141.741570
where:
bonds (distance) C4'-P energy: -49.134
bonds (distance) P-C4' energy: -45.694
flat angles C4'-P-C4' energy: -36.659
flat angles P-C4'-P energy: -15.923
tors. eta vs tors. theta energy: 5.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -959.897524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.897524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.897524 (E_RNA)
where:
Base-Base interactions energy: -664.081
where: short stacking energy: -290.367
Base-Backbone interact. energy: -0.165
local terms energy: -295.651377
where:
bonds (distance) C4'-P energy: -50.553
bonds (distance) P-C4' energy: -52.409
flat angles C4'-P-C4' energy: -57.051
flat angles P-C4'-P energy: -45.818
tors. eta vs tors. theta energy: -89.821
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: 2
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -922.515888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.515888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.515888 (E_RNA)
where:
Base-Base interactions energy: -649.162
where: short stacking energy: -264.061
Base-Backbone interact. energy: 3.535
local terms energy: -276.889061
where:
bonds (distance) C4'-P energy: -58.059
bonds (distance) P-C4' energy: -48.978
flat angles C4'-P-C4' energy: -55.088
flat angles P-C4'-P energy: -40.755
tors. eta vs tors. theta energy: -74.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -844.445607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.445607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.445607 (E_RNA)
where:
Base-Base interactions energy: -576.399
where: short stacking energy: -242.385
Base-Backbone interact. energy: -0.481
local terms energy: -267.566037
where:
bonds (distance) C4'-P energy: -47.435
bonds (distance) P-C4' energy: -51.119
flat angles C4'-P-C4' energy: -60.914
flat angles P-C4'-P energy: -35.084
tors. eta vs tors. theta energy: -73.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -840.634831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.634831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.634831 (E_RNA)
where:
Base-Base interactions energy: -587.250
where: short stacking energy: -241.829
Base-Backbone interact. energy: -0.496
local terms energy: -252.888682
where:
bonds (distance) C4'-P energy: -42.091
bonds (distance) P-C4' energy: -46.002
flat angles C4'-P-C4' energy: -54.078
flat angles P-C4'-P energy: -36.336
tors. eta vs tors. theta energy: -74.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -827.005839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.005839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.005839 (E_RNA)
where:
Base-Base interactions energy: -555.915
where: short stacking energy: -240.540
Base-Backbone interact. energy: -0.661
local terms energy: -270.430694
where:
bonds (distance) C4'-P energy: -52.246
bonds (distance) P-C4' energy: -49.937
flat angles C4'-P-C4' energy: -61.580
flat angles P-C4'-P energy: -38.422
tors. eta vs tors. theta energy: -68.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -771.125545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.125545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.125545 (E_RNA)
where:
Base-Base interactions energy: -520.543
where: short stacking energy: -206.064
Base-Backbone interact. energy: -2.219
local terms energy: -248.363150
where:
bonds (distance) C4'-P energy: -49.084
bonds (distance) P-C4' energy: -52.633
flat angles C4'-P-C4' energy: -45.072
flat angles P-C4'-P energy: -41.960
tors. eta vs tors. theta energy: -59.613
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: 5
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -765.854464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.854464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.854464 (E_RNA)
where:
Base-Base interactions energy: -535.405
where: short stacking energy: -225.242
Base-Backbone interact. energy: 0.213
local terms energy: -230.662446
where:
bonds (distance) C4'-P energy: -34.332
bonds (distance) P-C4' energy: -49.466
flat angles C4'-P-C4' energy: -53.057
flat angles P-C4'-P energy: -31.824
tors. eta vs tors. theta energy: -61.983
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: 9
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -627.169420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.169420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.169420 (E_RNA)
where:
Base-Base interactions energy: -412.619
where: short stacking energy: -179.400
Base-Backbone interact. energy: 1.413
local terms energy: -215.963415
where:
bonds (distance) C4'-P energy: -36.709
bonds (distance) P-C4' energy: -54.415
flat angles C4'-P-C4' energy: -54.116
flat angles P-C4'-P energy: -30.835
tors. eta vs tors. theta energy: -39.889
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: 9, replica: 7
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -662.053244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.053244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.053244 (E_RNA)
where:
Base-Base interactions energy: -434.079
where: short stacking energy: -175.191
Base-Backbone interact. energy: 0.040
local terms energy: -228.014528
where:
bonds (distance) C4'-P energy: -55.529
bonds (distance) P-C4' energy: -43.453
flat angles C4'-P-C4' energy: -47.772
flat angles P-C4'-P energy: -30.795
tors. eta vs tors. theta energy: -50.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -270.269898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.269898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.269898 (E_RNA)
where:
Base-Base interactions energy: -112.839
where: short stacking energy: -77.910
Base-Backbone interact. energy: -4.201
local terms energy: -153.230594
where:
bonds (distance) C4'-P energy: -43.289
bonds (distance) P-C4' energy: -45.219
flat angles C4'-P-C4' energy: -47.405
flat angles P-C4'-P energy: -17.467
tors. eta vs tors. theta energy: 0.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -966.587617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.587617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.587617 (E_RNA)
where:
Base-Base interactions energy: -672.339
where: short stacking energy: -281.472
Base-Backbone interact. energy: -1.086
local terms energy: -293.162552
where:
bonds (distance) C4'-P energy: -55.215
bonds (distance) P-C4' energy: -50.198
flat angles C4'-P-C4' energy: -59.031
flat angles P-C4'-P energy: -40.917
tors. eta vs tors. theta energy: -87.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -932.185622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.185622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.185622 (E_RNA)
where:
Base-Base interactions energy: -659.015
where: short stacking energy: -262.806
Base-Backbone interact. energy: -1.473
local terms energy: -271.698016
where:
bonds (distance) C4'-P energy: -48.827
bonds (distance) P-C4' energy: -49.856
flat angles C4'-P-C4' energy: -53.418
flat angles P-C4'-P energy: -45.123
tors. eta vs tors. theta energy: -74.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -859.425054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.425054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.425054 (E_RNA)
where:
Base-Base interactions energy: -591.536
where: short stacking energy: -264.816
Base-Backbone interact. energy: 2.131
local terms energy: -270.020004
where:
bonds (distance) C4'-P energy: -51.759
bonds (distance) P-C4' energy: -49.767
flat angles C4'-P-C4' energy: -51.806
flat angles P-C4'-P energy: -42.777
tors. eta vs tors. theta energy: -73.911
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: 349
Temperature: 1.050000
Total energy: -817.332779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.332779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.332779 (E_RNA)
where:
Base-Base interactions energy: -560.265
where: short stacking energy: -235.090
Base-Backbone interact. energy: 0.461
local terms energy: -257.529244
where:
bonds (distance) C4'-P energy: -49.523
bonds (distance) P-C4' energy: -45.761
flat angles C4'-P-C4' energy: -52.110
flat angles P-C4'-P energy: -38.071
tors. eta vs tors. theta energy: -72.063
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: 8
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -799.847931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.847931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.847931 (E_RNA)
where:
Base-Base interactions energy: -549.612
where: short stacking energy: -240.062
Base-Backbone interact. energy: 3.586
local terms energy: -253.821485
where:
bonds (distance) C4'-P energy: -47.918
bonds (distance) P-C4' energy: -49.676
flat angles C4'-P-C4' energy: -57.352
flat angles P-C4'-P energy: -32.044
tors. eta vs tors. theta energy: -66.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -780.356429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.356429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.356429 (E_RNA)
where:
Base-Base interactions energy: -545.330
where: short stacking energy: -217.324
Base-Backbone interact. energy: -0.346
local terms energy: -234.680420
where:
bonds (distance) C4'-P energy: -42.864
bonds (distance) P-C4' energy: -44.923
flat angles C4'-P-C4' energy: -52.962
flat angles P-C4'-P energy: -37.561
tors. eta vs tors. theta energy: -56.371
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: 5
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -757.673413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.673413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.673413 (E_RNA)
where:
Base-Base interactions energy: -522.321
where: short stacking energy: -214.878
Base-Backbone interact. energy: -1.201
local terms energy: -234.152043
where:
bonds (distance) C4'-P energy: -41.135
bonds (distance) P-C4' energy: -54.824
flat angles C4'-P-C4' energy: -45.820
flat angles P-C4'-P energy: -32.764
tors. eta vs tors. theta energy: -59.609
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: 8, replica: 7
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -629.565898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.565898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.565898 (E_RNA)
where:
Base-Base interactions energy: -424.242
where: short stacking energy: -191.002
Base-Backbone interact. energy: 4.479
local terms energy: -209.802910
where:
bonds (distance) C4'-P energy: -34.613
bonds (distance) P-C4' energy: -42.541
flat angles C4'-P-C4' energy: -54.178
flat angles P-C4'-P energy: -32.868
tors. eta vs tors. theta energy: -45.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -645.627802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.627802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.627802 (E_RNA)
where:
Base-Base interactions energy: -435.540
where: short stacking energy: -179.338
Base-Backbone interact. energy: 0.736
local terms energy: -210.823728
where:
bonds (distance) C4'-P energy: -35.337
bonds (distance) P-C4' energy: -42.443
flat angles C4'-P-C4' energy: -41.255
flat angles P-C4'-P energy: -37.853
tors. eta vs tors. theta energy: -53.935
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: 6
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -277.562435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.562435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.562435 (E_RNA)
where:
Base-Base interactions energy: -139.712
where: short stacking energy: -74.445
Base-Backbone interact. energy: -1.008
local terms energy: -136.842225
where:
bonds (distance) C4'-P energy: -41.977
bonds (distance) P-C4' energy: -35.290
flat angles C4'-P-C4' energy: -29.202
flat angles P-C4'-P energy: -28.297
tors. eta vs tors. theta energy: -2.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -945.735324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.735324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.735324 (E_RNA)
where:
Base-Base interactions energy: -639.999
where: short stacking energy: -264.820
Base-Backbone interact. energy: -0.842
local terms energy: -304.893619
where:
bonds (distance) C4'-P energy: -54.704
bonds (distance) P-C4' energy: -52.286
flat angles C4'-P-C4' energy: -61.601
flat angles P-C4'-P energy: -49.160
tors. eta vs tors. theta energy: -87.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -936.040791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.040791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.040791 (E_RNA)
where:
Base-Base interactions energy: -656.056
where: short stacking energy: -267.338
Base-Backbone interact. energy: -0.756
local terms energy: -279.228343
where:
bonds (distance) C4'-P energy: -55.895
bonds (distance) P-C4' energy: -55.419
flat angles C4'-P-C4' energy: -56.539
flat angles P-C4'-P energy: -34.058
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: 3, replica: 3
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -850.028633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.028633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.028633 (E_RNA)
where:
Base-Base interactions energy: -577.344
where: short stacking energy: -265.914
Base-Backbone interact. energy: -1.965
local terms energy: -270.719758
where:
bonds (distance) C4'-P energy: -44.357
bonds (distance) P-C4' energy: -49.380
flat angles C4'-P-C4' energy: -56.106
flat angles P-C4'-P energy: -43.675
tors. eta vs tors. theta energy: -77.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -823.925649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.925649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.925649 (E_RNA)
where:
Base-Base interactions energy: -567.218
where: short stacking energy: -234.133
Base-Backbone interact. energy: -0.341
local terms energy: -256.366143
where:
bonds (distance) C4'-P energy: -43.052
bonds (distance) P-C4' energy: -54.427
flat angles C4'-P-C4' energy: -52.357
flat angles P-C4'-P energy: -38.345
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: 5, replica: 10
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -844.345404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.345404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.345404 (E_RNA)
where:
Base-Base interactions energy: -606.800
where: short stacking energy: -247.477
Base-Backbone interact. energy: -1.613
local terms energy: -235.931966
where:
bonds (distance) C4'-P energy: -36.284
bonds (distance) P-C4' energy: -45.776
flat angles C4'-P-C4' energy: -43.590
flat angles P-C4'-P energy: -40.027
tors. eta vs tors. theta energy: -70.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -808.985699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.985699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.985699 (E_RNA)
where:
Base-Base interactions energy: -572.388
where: short stacking energy: -234.253
Base-Backbone interact. energy: -0.534
local terms energy: -236.063586
where:
bonds (distance) C4'-P energy: -41.958
bonds (distance) P-C4' energy: -50.169
flat angles C4'-P-C4' energy: -48.165
flat angles P-C4'-P energy: -24.016
tors. eta vs tors. theta energy: -71.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -739.809170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.809170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.809170 (E_RNA)
where:
Base-Base interactions energy: -521.420
where: short stacking energy: -206.050
Base-Backbone interact. energy: -0.283
local terms energy: -218.106899
where:
bonds (distance) C4'-P energy: -51.429
bonds (distance) P-C4' energy: -43.035
flat angles C4'-P-C4' energy: -39.372
flat angles P-C4'-P energy: -31.913
tors. eta vs tors. theta energy: -52.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -643.009295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.009295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.009295 (E_RNA)
where:
Base-Base interactions energy: -430.394
where: short stacking energy: -177.211
Base-Backbone interact. energy: -1.682
local terms energy: -210.932923
where:
bonds (distance) C4'-P energy: -38.538
bonds (distance) P-C4' energy: -45.877
flat angles C4'-P-C4' energy: -50.670
flat angles P-C4'-P energy: -27.154
tors. eta vs tors. theta energy: -48.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -605.105337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.105337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.105337 (E_RNA)
where:
Base-Base interactions energy: -408.624
where: short stacking energy: -166.784
Base-Backbone interact. energy: 0.174
local terms energy: -196.655319
where:
bonds (distance) C4'-P energy: -44.118
bonds (distance) P-C4' energy: -46.257
flat angles C4'-P-C4' energy: -42.449
flat angles P-C4'-P energy: -25.071
tors. eta vs tors. theta energy: -38.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -301.164896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.164896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.164896 (E_RNA)
where:
Base-Base interactions energy: -148.645
where: short stacking energy: -100.916
Base-Backbone interact. energy: -1.124
local terms energy: -151.396172
where:
bonds (distance) C4'-P energy: -38.856
bonds (distance) P-C4' energy: -34.515
flat angles C4'-P-C4' energy: -35.859
flat angles P-C4'-P energy: -36.556
tors. eta vs tors. theta energy: -5.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -939.286623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.286623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.286623 (E_RNA)
where:
Base-Base interactions energy: -656.435
where: short stacking energy: -276.055
Base-Backbone interact. energy: 0.076
local terms energy: -282.927672
where:
bonds (distance) C4'-P energy: -51.388
bonds (distance) P-C4' energy: -55.136
flat angles C4'-P-C4' energy: -47.725
flat angles P-C4'-P energy: -43.406
tors. eta vs tors. theta energy: -85.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -918.596915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.596915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.596915 (E_RNA)
where:
Base-Base interactions energy: -658.802
where: short stacking energy: -267.291
Base-Backbone interact. energy: -0.192
local terms energy: -259.602688
where:
bonds (distance) C4'-P energy: -49.428
bonds (distance) P-C4' energy: -46.474
flat angles C4'-P-C4' energy: -50.387
flat angles P-C4'-P energy: -35.631
tors. eta vs tors. theta energy: -77.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -862.197289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.197289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.197289 (E_RNA)
where:
Base-Base interactions energy: -589.001
where: short stacking energy: -254.884
Base-Backbone interact. energy: -0.282
local terms energy: -272.914012
where:
bonds (distance) C4'-P energy: -52.284
bonds (distance) P-C4' energy: -47.094
flat angles C4'-P-C4' energy: -59.479
flat angles P-C4'-P energy: -38.781
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: 4, replica: 10
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -878.181670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.181670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.181670 (E_RNA)
where:
Base-Base interactions energy: -628.446
where: short stacking energy: -249.532
Base-Backbone interact. energy: -0.416
local terms energy: -249.320554
where:
bonds (distance) C4'-P energy: -41.575
bonds (distance) P-C4' energy: -42.904
flat angles C4'-P-C4' energy: -56.240
flat angles P-C4'-P energy: -33.834
tors. eta vs tors. theta energy: -74.768
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: 4
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -790.556123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.556123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.556123 (E_RNA)
where:
Base-Base interactions energy: -554.104
where: short stacking energy: -222.756
Base-Backbone interact. energy: -1.689
local terms energy: -234.763541
where:
bonds (distance) C4'-P energy: -46.731
bonds (distance) P-C4' energy: -47.597
flat angles C4'-P-C4' energy: -44.998
flat angles P-C4'-P energy: -41.409
tors. eta vs tors. theta energy: -54.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -825.903082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.903082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.903082 (E_RNA)
where:
Base-Base interactions energy: -561.214
where: short stacking energy: -234.996
Base-Backbone interact. energy: 1.143
local terms energy: -265.832802
where:
bonds (distance) C4'-P energy: -50.641
bonds (distance) P-C4' energy: -53.266
flat angles C4'-P-C4' energy: -53.475
flat angles P-C4'-P energy: -36.146
tors. eta vs tors. theta energy: -72.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -763.925231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.925231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.925231 (E_RNA)
where:
Base-Base interactions energy: -525.199
where: short stacking energy: -219.795
Base-Backbone interact. energy: -0.279
local terms energy: -238.446772
where:
bonds (distance) C4'-P energy: -45.964
bonds (distance) P-C4' energy: -50.322
flat angles C4'-P-C4' energy: -41.844
flat angles P-C4'-P energy: -34.800
tors. eta vs tors. theta energy: -65.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -659.567149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.567149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.567149 (E_RNA)
where:
Base-Base interactions energy: -457.723
where: short stacking energy: -181.967
Base-Backbone interact. energy: -0.335
local terms energy: -201.509010
where:
bonds (distance) C4'-P energy: -42.195
bonds (distance) P-C4' energy: -32.643
flat angles C4'-P-C4' energy: -46.960
flat angles P-C4'-P energy: -36.699
tors. eta vs tors. theta energy: -43.012
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: 9, replica: 9
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -529.019508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.019508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.019508 (E_RNA)
where:
Base-Base interactions energy: -348.645
where: short stacking energy: -144.192
Base-Backbone interact. energy: -1.296
local terms energy: -179.078603
where:
bonds (distance) C4'-P energy: -36.639
bonds (distance) P-C4' energy: -40.783
flat angles C4'-P-C4' energy: -38.160
flat angles P-C4'-P energy: -31.103
tors. eta vs tors. theta energy: -32.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -242.675635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.675635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.675635 (E_RNA)
where:
Base-Base interactions energy: -112.778
where: short stacking energy: -78.064
Base-Backbone interact. energy: 2.220
local terms energy: -132.117383
where:
bonds (distance) C4'-P energy: -31.069
bonds (distance) P-C4' energy: -55.084
flat angles C4'-P-C4' energy: -44.757
flat angles P-C4'-P energy: -5.381
tors. eta vs tors. theta energy: 4.173
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: 2
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -940.580506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.580506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.580506 (E_RNA)
where:
Base-Base interactions energy: -658.415
where: short stacking energy: -273.988
Base-Backbone interact. energy: -1.472
local terms energy: -280.693383
where:
bonds (distance) C4'-P energy: -46.197
bonds (distance) P-C4' energy: -57.807
flat angles C4'-P-C4' energy: -62.900
flat angles P-C4'-P energy: -36.534
tors. eta vs tors. theta energy: -77.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -932.741451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.741451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.741451 (E_RNA)
where:
Base-Base interactions energy: -644.887
where: short stacking energy: -277.722
Base-Backbone interact. energy: -0.236
local terms energy: -287.618141
where:
bonds (distance) C4'-P energy: -48.285
bonds (distance) P-C4' energy: -50.709
flat angles C4'-P-C4' energy: -56.719
flat angles P-C4'-P energy: -40.163
tors. eta vs tors. theta energy: -91.742
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: 3, replica: 10
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -891.913664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.913664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.913664 (E_RNA)
where:
Base-Base interactions energy: -612.707
where: short stacking energy: -250.926
Base-Backbone interact. energy: 0.966
local terms energy: -280.172379
where:
bonds (distance) C4'-P energy: -44.506
bonds (distance) P-C4' energy: -48.099
flat angles C4'-P-C4' energy: -65.701
flat angles P-C4'-P energy: -41.845
tors. eta vs tors. theta energy: -80.021
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: 3
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -816.947550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.947550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.947550 (E_RNA)
where:
Base-Base interactions energy: -559.066
where: short stacking energy: -234.781
Base-Backbone interact. energy: -0.168
local terms energy: -257.713680
where:
bonds (distance) C4'-P energy: -47.981
bonds (distance) P-C4' energy: -47.184
flat angles C4'-P-C4' energy: -47.026
flat angles P-C4'-P energy: -41.605
tors. eta vs tors. theta energy: -73.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -827.244035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.244035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.244035 (E_RNA)
where:
Base-Base interactions energy: -564.166
where: short stacking energy: -245.397
Base-Backbone interact. energy: -1.074
local terms energy: -262.003696
where:
bonds (distance) C4'-P energy: -46.519
bonds (distance) P-C4' energy: -52.637
flat angles C4'-P-C4' energy: -59.087
flat angles P-C4'-P energy: -36.758
tors. eta vs tors. theta energy: -67.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -762.544814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.544814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.544814 (E_RNA)
where:
Base-Base interactions energy: -524.268
where: short stacking energy: -214.508
Base-Backbone interact. energy: 0.767
local terms energy: -239.043772
where:
bonds (distance) C4'-P energy: -48.362
bonds (distance) P-C4' energy: -35.283
flat angles C4'-P-C4' energy: -61.850
flat angles P-C4'-P energy: -30.070
tors. eta vs tors. theta energy: -63.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -774.325339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.325339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.325339 (E_RNA)
where:
Base-Base interactions energy: -527.708
where: short stacking energy: -217.639
Base-Backbone interact. energy: -0.608
local terms energy: -246.009239
where:
bonds (distance) C4'-P energy: -43.422
bonds (distance) P-C4' energy: -56.317
flat angles C4'-P-C4' energy: -51.255
flat angles P-C4'-P energy: -33.185
tors. eta vs tors. theta energy: -61.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -716.092720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.092720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.092720 (E_RNA)
where:
Base-Base interactions energy: -497.111
where: short stacking energy: -200.355
Base-Backbone interact. energy: -0.806
local terms energy: -218.176039
where:
bonds (distance) C4'-P energy: -38.584
bonds (distance) P-C4' energy: -55.368
flat angles C4'-P-C4' energy: -50.149
flat angles P-C4'-P energy: -30.827
tors. eta vs tors. theta energy: -43.248
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: 9, replica: 9
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -491.672763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.672763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.672763 (E_RNA)
where:
Base-Base interactions energy: -308.403
where: short stacking energy: -161.463
Base-Backbone interact. energy: -0.462
local terms energy: -182.807635
where:
bonds (distance) C4'-P energy: -48.899
bonds (distance) P-C4' energy: -37.508
flat angles C4'-P-C4' energy: -34.271
flat angles P-C4'-P energy: -21.741
tors. eta vs tors. theta energy: -40.388
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: 6
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -238.844722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.844722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.844722 (E_RNA)
where:
Base-Base interactions energy: -96.387
where: short stacking energy: -61.304
Base-Backbone interact. energy: -3.131
local terms energy: -139.325930
where:
bonds (distance) C4'-P energy: -50.343
bonds (distance) P-C4' energy: -51.716
flat angles C4'-P-C4' energy: -32.595
flat angles P-C4'-P energy: -14.691
tors. eta vs tors. theta energy: 10.018
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: 1, replica: 2
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -946.945012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.945012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.945012 (E_RNA)
where:
Base-Base interactions energy: -650.638
where: short stacking energy: -269.445
Base-Backbone interact. energy: 0.891
local terms energy: -297.198004
where:
bonds (distance) C4'-P energy: -50.308
bonds (distance) P-C4' energy: -56.564
flat angles C4'-P-C4' energy: -65.187
flat angles P-C4'-P energy: -44.620
tors. eta vs tors. theta energy: -80.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -919.547524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.547524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.547524 (E_RNA)
where:
Base-Base interactions energy: -638.659
where: short stacking energy: -282.739
Base-Backbone interact. energy: 2.415
local terms energy: -283.303619
where:
bonds (distance) C4'-P energy: -50.918
bonds (distance) P-C4' energy: -46.987
flat angles C4'-P-C4' energy: -59.316
flat angles P-C4'-P energy: -37.976
tors. eta vs tors. theta energy: -88.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -874.245727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.245727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.245727 (E_RNA)
where:
Base-Base interactions energy: -607.624
where: short stacking energy: -251.713
Base-Backbone interact. energy: -0.106
local terms energy: -266.515633
where:
bonds (distance) C4'-P energy: -46.816
bonds (distance) P-C4' energy: -46.389
flat angles C4'-P-C4' energy: -58.050
flat angles P-C4'-P energy: -44.395
tors. eta vs tors. theta energy: -70.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -845.138004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.138004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.138004 (E_RNA)
where:
Base-Base interactions energy: -583.724
where: short stacking energy: -249.887
Base-Backbone interact. energy: 1.074
local terms energy: -262.488573
where:
bonds (distance) C4'-P energy: -47.151
bonds (distance) P-C4' energy: -49.283
flat angles C4'-P-C4' energy: -53.816
flat angles P-C4'-P energy: -38.215
tors. eta vs tors. theta energy: -74.024
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: 3
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -813.951145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.951145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.951145 (E_RNA)
where:
Base-Base interactions energy: -559.187
where: short stacking energy: -242.673
Base-Backbone interact. energy: -0.215
local terms energy: -254.549347
where:
bonds (distance) C4'-P energy: -43.774
bonds (distance) P-C4' energy: -53.457
flat angles C4'-P-C4' energy: -44.920
flat angles P-C4'-P energy: -37.174
tors. eta vs tors. theta energy: -75.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -769.177769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.177769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.177769 (E_RNA)
where:
Base-Base interactions energy: -531.739
where: short stacking energy: -202.757
Base-Backbone interact. energy: -0.576
local terms energy: -236.862930
where:
bonds (distance) C4'-P energy: -52.783
bonds (distance) P-C4' energy: -59.090
flat angles C4'-P-C4' energy: -43.640
flat angles P-C4'-P energy: -23.543
tors. eta vs tors. theta energy: -57.806
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: 7, replica: 4
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -718.788584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.788584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.788584 (E_RNA)
where:
Base-Base interactions energy: -477.621
where: short stacking energy: -201.128
Base-Backbone interact. energy: -0.320
local terms energy: -240.847073
where:
bonds (distance) C4'-P energy: -47.547
bonds (distance) P-C4' energy: -53.312
flat angles C4'-P-C4' energy: -48.693
flat angles P-C4'-P energy: -34.938
tors. eta vs tors. theta energy: -56.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -718.069572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.069572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.069572 (E_RNA)
where:
Base-Base interactions energy: -498.050
where: short stacking energy: -205.072
Base-Backbone interact. energy: -2.060
local terms energy: -217.959242
where:
bonds (distance) C4'-P energy: -44.531
bonds (distance) P-C4' energy: -40.166
flat angles C4'-P-C4' energy: -45.873
flat angles P-C4'-P energy: -27.626
tors. eta vs tors. theta energy: -59.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -482.315769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.315769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.315769 (E_RNA)
where:
Base-Base interactions energy: -307.339
where: short stacking energy: -158.701
Base-Backbone interact. energy: -1.191
local terms energy: -173.786040
where:
bonds (distance) C4'-P energy: -37.936
bonds (distance) P-C4' energy: -44.357
flat angles C4'-P-C4' energy: -29.196
flat angles P-C4'-P energy: -24.313
tors. eta vs tors. theta energy: -37.984
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: 6
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -247.802135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.802135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.802135 (E_RNA)
where:
Base-Base interactions energy: -86.578
where: short stacking energy: -86.013
Base-Backbone interact. energy: -0.068
local terms energy: -161.156041
where:
bonds (distance) C4'-P energy: -46.153
bonds (distance) P-C4' energy: -44.148
flat angles C4'-P-C4' energy: -32.037
flat angles P-C4'-P energy: -29.830
tors. eta vs tors. theta energy: -8.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -949.925064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.925064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.925064 (E_RNA)
where:
Base-Base interactions energy: -652.255
where: short stacking energy: -285.627
Base-Backbone interact. energy: 2.160
local terms energy: -299.830302
where:
bonds (distance) C4'-P energy: -52.881
bonds (distance) P-C4' energy: -55.238
flat angles C4'-P-C4' energy: -55.090
flat angles P-C4'-P energy: -42.214
tors. eta vs tors. theta energy: -94.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -917.034452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.034452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.034452 (E_RNA)
where:
Base-Base interactions energy: -627.878
where: short stacking energy: -264.223
Base-Backbone interact. energy: 1.219
local terms energy: -290.375775
where:
bonds (distance) C4'-P energy: -54.354
bonds (distance) P-C4' energy: -54.783
flat angles C4'-P-C4' energy: -62.239
flat angles P-C4'-P energy: -40.432
tors. eta vs tors. theta energy: -78.568
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: 8
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -885.458616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.458616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.458616 (E_RNA)
where:
Base-Base interactions energy: -608.473
where: short stacking energy: -271.347
Base-Backbone interact. energy: -1.229
local terms energy: -275.756608
where:
bonds (distance) C4'-P energy: -51.319
bonds (distance) P-C4' energy: -51.149
flat angles C4'-P-C4' energy: -54.589
flat angles P-C4'-P energy: -39.526
tors. eta vs tors. theta energy: -79.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -894.446282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.446282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.446282 (E_RNA)
where:
Base-Base interactions energy: -627.375
where: short stacking energy: -269.240
Base-Backbone interact. energy: -0.677
local terms energy: -266.393550
where:
bonds (distance) C4'-P energy: -40.818
bonds (distance) P-C4' energy: -52.764
flat angles C4'-P-C4' energy: -63.075
flat angles P-C4'-P energy: -31.615
tors. eta vs tors. theta energy: -78.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -817.031788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.031788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.031788 (E_RNA)
where:
Base-Base interactions energy: -563.916
where: short stacking energy: -233.976
Base-Backbone interact. energy: -0.372
local terms energy: -252.743625
where:
bonds (distance) C4'-P energy: -42.105
bonds (distance) P-C4' energy: -36.850
flat angles C4'-P-C4' energy: -60.311
flat angles P-C4'-P energy: -42.026
tors. eta vs tors. theta energy: -71.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -762.555488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.555488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.555488 (E_RNA)
where:
Base-Base interactions energy: -520.188
where: short stacking energy: -228.819
Base-Backbone interact. energy: 0.508
local terms energy: -242.874656
where:
bonds (distance) C4'-P energy: -52.231
bonds (distance) P-C4' energy: -44.122
flat angles C4'-P-C4' energy: -51.800
flat angles P-C4'-P energy: -29.950
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: 5
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -757.235696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.235696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.235696 (E_RNA)
where:
Base-Base interactions energy: -534.958
where: short stacking energy: -201.741
Base-Backbone interact. energy: -2.410
local terms energy: -219.867908
where:
bonds (distance) C4'-P energy: -32.218
bonds (distance) P-C4' energy: -47.376
flat angles C4'-P-C4' energy: -49.919
flat angles P-C4'-P energy: -32.522
tors. eta vs tors. theta energy: -57.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -722.855384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.855384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.855384 (E_RNA)
where:
Base-Base interactions energy: -478.636
where: short stacking energy: -207.396
Base-Backbone interact. energy: -0.637
local terms energy: -243.582093
where:
bonds (distance) C4'-P energy: -48.480
bonds (distance) P-C4' energy: -56.116
flat angles C4'-P-C4' energy: -51.818
flat angles P-C4'-P energy: -27.446
tors. eta vs tors. theta energy: -59.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -479.544819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.544819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.544819 (E_RNA)
where:
Base-Base interactions energy: -295.810
where: short stacking energy: -141.938
Base-Backbone interact. energy: 0.456
local terms energy: -184.190541
where:
bonds (distance) C4'-P energy: -39.167
bonds (distance) P-C4' energy: -44.246
flat angles C4'-P-C4' energy: -55.956
flat angles P-C4'-P energy: -17.231
tors. eta vs tors. theta energy: -27.590
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: 6
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -217.588265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.588265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.588265 (E_RNA)
where:
Base-Base interactions energy: -78.041
where: short stacking energy: -67.379
Base-Backbone interact. energy: 0.730
local terms energy: -140.277566
where:
bonds (distance) C4'-P energy: -35.189
bonds (distance) P-C4' energy: -51.650
flat angles C4'-P-C4' energy: -39.850
flat angles P-C4'-P energy: -22.975
tors. eta vs tors. theta energy: 9.386
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: 1
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -936.121886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.121886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.121886 (E_RNA)
where:
Base-Base interactions energy: -649.552
where: short stacking energy: -284.716
Base-Backbone interact. energy: 2.749
local terms energy: -289.319522
where:
bonds (distance) C4'-P energy: -51.093
bonds (distance) P-C4' energy: -56.738
flat angles C4'-P-C4' energy: -55.982
flat angles P-C4'-P energy: -37.632
tors. eta vs tors. theta energy: -87.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -930.173287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.173287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.173287 (E_RNA)
where:
Base-Base interactions energy: -645.066
where: short stacking energy: -280.690
Base-Backbone interact. energy: -1.159
local terms energy: -283.948265
where:
bonds (distance) C4'-P energy: -49.504
bonds (distance) P-C4' energy: -50.469
flat angles C4'-P-C4' energy: -64.707
flat angles P-C4'-P energy: -35.586
tors. eta vs tors. theta energy: -83.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -894.707006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.707006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.707006 (E_RNA)
where:
Base-Base interactions energy: -618.641
where: short stacking energy: -273.867
Base-Backbone interact. energy: -1.419
local terms energy: -274.646747
where:
bonds (distance) C4'-P energy: -45.988
bonds (distance) P-C4' energy: -48.923
flat angles C4'-P-C4' energy: -56.870
flat angles P-C4'-P energy: -44.368
tors. eta vs tors. theta energy: -78.499
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: 10
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -837.151892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.151892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.151892 (E_RNA)
where:
Base-Base interactions energy: -583.897
where: short stacking energy: -239.752
Base-Backbone interact. energy: 2.523
local terms energy: -255.778002
where:
bonds (distance) C4'-P energy: -47.548
bonds (distance) P-C4' energy: -42.486
flat angles C4'-P-C4' energy: -54.174
flat angles P-C4'-P energy: -39.122
tors. eta vs tors. theta energy: -72.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -813.368078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.368078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.368078 (E_RNA)
where:
Base-Base interactions energy: -552.584
where: short stacking energy: -244.318
Base-Backbone interact. energy: 1.258
local terms energy: -262.042655
where:
bonds (distance) C4'-P energy: -52.018
bonds (distance) P-C4' energy: -52.702
flat angles C4'-P-C4' energy: -48.454
flat angles P-C4'-P energy: -40.758
tors. eta vs tors. theta energy: -68.110
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: 7
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -755.083929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.083929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.083929 (E_RNA)
where:
Base-Base interactions energy: -529.507
where: short stacking energy: -243.791
Base-Backbone interact. energy: -0.601
local terms energy: -224.975936
where:
bonds (distance) C4'-P energy: -37.995
bonds (distance) P-C4' energy: -34.247
flat angles C4'-P-C4' energy: -55.969
flat angles P-C4'-P energy: -30.381
tors. eta vs tors. theta energy: -66.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -773.569559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.569559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.569559 (E_RNA)
where:
Base-Base interactions energy: -528.220
where: short stacking energy: -195.558
Base-Backbone interact. energy: -0.628
local terms energy: -244.721905
where:
bonds (distance) C4'-P energy: -38.057
bonds (distance) P-C4' energy: -43.915
flat angles C4'-P-C4' energy: -60.315
flat angles P-C4'-P energy: -36.131
tors. eta vs tors. theta energy: -66.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -729.251619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.251619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.251619 (E_RNA)
where:
Base-Base interactions energy: -498.719
where: short stacking energy: -200.197
Base-Backbone interact. energy: 1.703
local terms energy: -232.235223
where:
bonds (distance) C4'-P energy: -51.395
bonds (distance) P-C4' energy: -41.931
flat angles C4'-P-C4' energy: -50.190
flat angles P-C4'-P energy: -29.145
tors. eta vs tors. theta energy: -59.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -474.473564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.473564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.473564 (E_RNA)
where:
Base-Base interactions energy: -296.627
where: short stacking energy: -135.184
Base-Backbone interact. energy: -0.576
local terms energy: -177.270807
where:
bonds (distance) C4'-P energy: -25.766
bonds (distance) P-C4' energy: -43.386
flat angles C4'-P-C4' energy: -44.811
flat angles P-C4'-P energy: -28.445
tors. eta vs tors. theta energy: -34.863
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: 10, replica: 6
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -234.705534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.705534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.705534 (E_RNA)
where:
Base-Base interactions energy: -71.791
where: short stacking energy: -64.680
Base-Backbone interact. energy: -0.349
local terms energy: -162.566053
where:
bonds (distance) C4'-P energy: -46.913
bonds (distance) P-C4' energy: -43.367
flat angles C4'-P-C4' energy: -33.625
flat angles P-C4'-P energy: -33.029
tors. eta vs tors. theta energy: -5.632
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: 1
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -937.348494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.348494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.348494 (E_RNA)
where:
Base-Base interactions energy: -655.558
where: short stacking energy: -274.866
Base-Backbone interact. energy: -0.235
local terms energy: -281.554981
where:
bonds (distance) C4'-P energy: -51.222
bonds (distance) P-C4' energy: -48.687
flat angles C4'-P-C4' energy: -60.315
flat angles P-C4'-P energy: -34.780
tors. eta vs tors. theta energy: -86.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -938.094162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.094162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.094162 (E_RNA)
where:
Base-Base interactions energy: -650.884
where: short stacking energy: -273.243
Base-Backbone interact. energy: -1.283
local terms energy: -285.926406
where:
bonds (distance) C4'-P energy: -50.562
bonds (distance) P-C4' energy: -50.949
flat angles C4'-P-C4' energy: -58.049
flat angles P-C4'-P energy: -44.982
tors. eta vs tors. theta energy: -81.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -903.283927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.283927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.283927 (E_RNA)
where:
Base-Base interactions energy: -617.465
where: short stacking energy: -277.738
Base-Backbone interact. energy: -1.210
local terms energy: -284.608683
where:
bonds (distance) C4'-P energy: -43.324
bonds (distance) P-C4' energy: -60.893
flat angles C4'-P-C4' energy: -63.188
flat angles P-C4'-P energy: -38.524
tors. eta vs tors. theta energy: -78.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -841.096953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.096953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.096953 (E_RNA)
where:
Base-Base interactions energy: -590.798
where: short stacking energy: -245.007
Base-Backbone interact. energy: -1.348
local terms energy: -248.951590
where:
bonds (distance) C4'-P energy: -44.904
bonds (distance) P-C4' energy: -45.385
flat angles C4'-P-C4' energy: -55.785
flat angles P-C4'-P energy: -32.802
tors. eta vs tors. theta energy: -70.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -810.540399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.540399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.540399 (E_RNA)
where:
Base-Base interactions energy: -540.994
where: short stacking energy: -218.994
Base-Backbone interact. energy: -0.393
local terms energy: -269.153289
where:
bonds (distance) C4'-P energy: -49.666
bonds (distance) P-C4' energy: -52.661
flat angles C4'-P-C4' energy: -58.998
flat angles P-C4'-P energy: -39.360
tors. eta vs tors. theta energy: -68.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -755.127737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.127737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.127737 (E_RNA)
where:
Base-Base interactions energy: -531.297
where: short stacking energy: -223.703
Base-Backbone interact. energy: -1.551
local terms energy: -222.280360
where:
bonds (distance) C4'-P energy: -38.626
bonds (distance) P-C4' energy: -50.915
flat angles C4'-P-C4' energy: -41.134
flat angles P-C4'-P energy: -34.101
tors. eta vs tors. theta energy: -57.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -781.683302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.683302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.683302 (E_RNA)
where:
Base-Base interactions energy: -559.359
where: short stacking energy: -211.695
Base-Backbone interact. energy: -0.332
local terms energy: -221.992628
where:
bonds (distance) C4'-P energy: -42.629
bonds (distance) P-C4' energy: -38.290
flat angles C4'-P-C4' energy: -52.822
flat angles P-C4'-P energy: -33.867
tors. eta vs tors. theta energy: -54.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -741.819581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.819581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.819581 (E_RNA)
where:
Base-Base interactions energy: -519.977
where: short stacking energy: -226.111
Base-Backbone interact. energy: -0.009
local terms energy: -221.832991
where:
bonds (distance) C4'-P energy: -38.892
bonds (distance) P-C4' energy: -46.936
flat angles C4'-P-C4' energy: -42.811
flat angles P-C4'-P energy: -29.662
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: 9, replica: 9
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -465.586953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.586953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.586953 (E_RNA)
where:
Base-Base interactions energy: -303.812
where: short stacking energy: -150.048
Base-Backbone interact. energy: -0.680
local terms energy: -161.095319
where:
bonds (distance) C4'-P energy: -22.669
bonds (distance) P-C4' energy: -41.795
flat angles C4'-P-C4' energy: -47.171
flat angles P-C4'-P energy: -17.805
tors. eta vs tors. theta energy: -31.657
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: 10, replica: 6
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -219.326104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.326104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.326104 (E_RNA)
where:
Base-Base interactions energy: -74.419
where: short stacking energy: -60.367
Base-Backbone interact. energy: 2.456
local terms energy: -147.362916
where:
bonds (distance) C4'-P energy: -40.482
bonds (distance) P-C4' energy: -42.196
flat angles C4'-P-C4' energy: -42.394
flat angles P-C4'-P energy: -31.070
tors. eta vs tors. theta energy: 8.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -945.262280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.262280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.262280 (E_RNA)
where:
Base-Base interactions energy: -639.816
where: short stacking energy: -278.130
Base-Backbone interact. energy: -0.937
local terms energy: -304.508675
where:
bonds (distance) C4'-P energy: -57.969
bonds (distance) P-C4' energy: -51.479
flat angles C4'-P-C4' energy: -64.080
flat angles P-C4'-P energy: -43.078
tors. eta vs tors. theta energy: -87.903
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: 8
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -914.550072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.550072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.550072 (E_RNA)
where:
Base-Base interactions energy: -630.407
where: short stacking energy: -277.832
Base-Backbone interact. energy: -0.147
local terms energy: -283.995488
where:
bonds (distance) C4'-P energy: -52.763
bonds (distance) P-C4' energy: -57.651
flat angles C4'-P-C4' energy: -53.429
flat angles P-C4'-P energy: -37.929
tors. eta vs tors. theta energy: -82.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -932.652654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.652654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.652654 (E_RNA)
where:
Base-Base interactions energy: -660.912
where: short stacking energy: -271.247
Base-Backbone interact. energy: -2.308
local terms energy: -269.432363
where:
bonds (distance) C4'-P energy: -44.056
bonds (distance) P-C4' energy: -50.320
flat angles C4'-P-C4' energy: -55.003
flat angles P-C4'-P energy: -40.914
tors. eta vs tors. theta energy: -79.138
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: 10
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -878.559463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.559463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.559463 (E_RNA)
where:
Base-Base interactions energy: -600.333
where: short stacking energy: -253.247
Base-Backbone interact. energy: 0.582
local terms energy: -278.808514
where:
bonds (distance) C4'-P energy: -45.463
bonds (distance) P-C4' energy: -56.874
flat angles C4'-P-C4' energy: -53.875
flat angles P-C4'-P energy: -43.381
tors. eta vs tors. theta energy: -79.216
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: 3
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -811.641302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.641302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.641302 (E_RNA)
where:
Base-Base interactions energy: -559.906
where: short stacking energy: -234.050
Base-Backbone interact. energy: 0.608
local terms energy: -252.343537
where:
bonds (distance) C4'-P energy: -39.980
bonds (distance) P-C4' energy: -46.875
flat angles C4'-P-C4' energy: -56.443
flat angles P-C4'-P energy: -32.100
tors. eta vs tors. theta energy: -76.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -779.862399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.862399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.862399 (E_RNA)
where:
Base-Base interactions energy: -535.922
where: short stacking energy: -226.688
Base-Backbone interact. energy: -2.141
local terms energy: -241.799446
where:
bonds (distance) C4'-P energy: -47.422
bonds (distance) P-C4' energy: -46.642
flat angles C4'-P-C4' energy: -55.869
flat angles P-C4'-P energy: -34.190
tors. eta vs tors. theta energy: -57.676
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: 5
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -739.410840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.410840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.410840 (E_RNA)
where:
Base-Base interactions energy: -523.052
where: short stacking energy: -210.666
Base-Backbone interact. energy: 0.899
local terms energy: -217.257914
where:
bonds (distance) C4'-P energy: -43.409
bonds (distance) P-C4' energy: -43.125
flat angles C4'-P-C4' energy: -49.500
flat angles P-C4'-P energy: -24.372
tors. eta vs tors. theta energy: -56.853
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: 8, replica: 4
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -753.446760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.446760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.446760 (E_RNA)
where:
Base-Base interactions energy: -515.430
where: short stacking energy: -206.886
Base-Backbone interact. energy: 0.763
local terms energy: -238.779586
where:
bonds (distance) C4'-P energy: -45.268
bonds (distance) P-C4' energy: -53.764
flat angles C4'-P-C4' energy: -44.045
flat angles P-C4'-P energy: -33.793
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: 9, replica: 9
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -485.752609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.752609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.752609 (E_RNA)
where:
Base-Base interactions energy: -312.873
where: short stacking energy: -132.345
Base-Backbone interact. energy: 0.135
local terms energy: -173.014480
where:
bonds (distance) C4'-P energy: -43.368
bonds (distance) P-C4' energy: -38.119
flat angles C4'-P-C4' energy: -44.408
flat angles P-C4'-P energy: -23.225
tors. eta vs tors. theta energy: -23.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -229.692344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.692344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.692344 (E_RNA)
where:
Base-Base interactions energy: -80.798
where: short stacking energy: -57.086
Base-Backbone interact. energy: 1.037
local terms energy: -149.930547
where:
bonds (distance) C4'-P energy: -42.109
bonds (distance) P-C4' energy: -54.419
flat angles C4'-P-C4' energy: -34.423
flat angles P-C4'-P energy: -26.852
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: 1, replica: 1
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -953.022776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.022776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.022776 (E_RNA)
where:
Base-Base interactions energy: -660.545
where: short stacking energy: -277.884
Base-Backbone interact. energy: -0.066
local terms energy: -292.412029
where:
bonds (distance) C4'-P energy: -51.053
bonds (distance) P-C4' energy: -54.817
flat angles C4'-P-C4' energy: -61.295
flat angles P-C4'-P energy: -35.768
tors. eta vs tors. theta energy: -89.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -907.760631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.760631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.760631 (E_RNA)
where:
Base-Base interactions energy: -617.350
where: short stacking energy: -268.172
Base-Backbone interact. energy: -1.428
local terms energy: -288.982882
where:
bonds (distance) C4'-P energy: -55.865
bonds (distance) P-C4' energy: -55.644
flat angles C4'-P-C4' energy: -52.315
flat angles P-C4'-P energy: -42.531
tors. eta vs tors. theta energy: -82.627
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: 3, replica: 2
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -913.514374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.514374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.514374 (E_RNA)
where:
Base-Base interactions energy: -650.968
where: short stacking energy: -276.985
Base-Backbone interact. energy: -1.037
local terms energy: -261.509881
where:
bonds (distance) C4'-P energy: -46.007
bonds (distance) P-C4' energy: -50.691
flat angles C4'-P-C4' energy: -52.630
flat angles P-C4'-P energy: -37.863
tors. eta vs tors. theta energy: -74.319
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: 10
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -853.882046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.882046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.882046 (E_RNA)
where:
Base-Base interactions energy: -579.567
where: short stacking energy: -252.872
Base-Backbone interact. energy: 0.135
local terms energy: -274.449461
where:
bonds (distance) C4'-P energy: -48.847
bonds (distance) P-C4' energy: -52.443
flat angles C4'-P-C4' energy: -60.231
flat angles P-C4'-P energy: -38.319
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: 3
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -833.260471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.260471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.260471 (E_RNA)
where:
Base-Base interactions energy: -568.170
where: short stacking energy: -239.158
Base-Backbone interact. energy: -0.085
local terms energy: -265.005868
where:
bonds (distance) C4'-P energy: -39.542
bonds (distance) P-C4' energy: -51.634
flat angles C4'-P-C4' energy: -53.934
flat angles P-C4'-P energy: -45.966
tors. eta vs tors. theta energy: -73.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -774.779463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.779463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.779463 (E_RNA)
where:
Base-Base interactions energy: -525.067
where: short stacking energy: -217.241
Base-Backbone interact. energy: 0.463
local terms energy: -250.175166
where:
bonds (distance) C4'-P energy: -55.246
bonds (distance) P-C4' energy: -62.898
flat angles C4'-P-C4' energy: -45.311
flat angles P-C4'-P energy: -24.692
tors. eta vs tors. theta energy: -62.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -761.148399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.148399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.148399 (E_RNA)
where:
Base-Base interactions energy: -519.869
where: short stacking energy: -215.933
Base-Backbone interact. energy: 1.418
local terms energy: -242.696668
where:
bonds (distance) C4'-P energy: -54.584
bonds (distance) P-C4' energy: -44.875
flat angles C4'-P-C4' energy: -49.071
flat angles P-C4'-P energy: -32.485
tors. eta vs tors. theta energy: -61.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -709.646989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.646989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.646989 (E_RNA)
where:
Base-Base interactions energy: -508.823
where: short stacking energy: -186.700
Base-Backbone interact. energy: 1.494
local terms energy: -202.317765
where:
bonds (distance) C4'-P energy: -42.613
bonds (distance) P-C4' energy: -41.531
flat angles C4'-P-C4' energy: -42.128
flat angles P-C4'-P energy: -23.746
tors. eta vs tors. theta energy: -52.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -493.457728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.457728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.457728 (E_RNA)
where:
Base-Base interactions energy: -312.174
where: short stacking energy: -148.483
Base-Backbone interact. energy: -0.775
local terms energy: -180.508941
where:
bonds (distance) C4'-P energy: -36.590
bonds (distance) P-C4' energy: -48.627
flat angles C4'-P-C4' energy: -39.556
flat angles P-C4'-P energy: -25.534
tors. eta vs tors. theta energy: -30.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -218.861058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.861058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.861058 (E_RNA)
where:
Base-Base interactions energy: -87.284
where: short stacking energy: -73.045
Base-Backbone interact. energy: 0.604
local terms energy: -132.181447
where:
bonds (distance) C4'-P energy: -40.768
bonds (distance) P-C4' energy: -50.928
flat angles C4'-P-C4' energy: -30.879
flat angles P-C4'-P energy: -15.345
tors. eta vs tors. theta energy: 5.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -963.805056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.805056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.805056 (E_RNA)
where:
Base-Base interactions energy: -649.918
where: short stacking energy: -277.353
Base-Backbone interact. energy: -0.948
local terms energy: -312.939629
where:
bonds (distance) C4'-P energy: -53.776
bonds (distance) P-C4' energy: -61.014
flat angles C4'-P-C4' energy: -61.046
flat angles P-C4'-P energy: -46.681
tors. eta vs tors. theta energy: -90.423
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: 2, replica: 2
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -913.422915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.422915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.422915 (E_RNA)
where:
Base-Base interactions energy: -648.803
where: short stacking energy: -266.368
Base-Backbone interact. energy: -1.430
local terms energy: -263.189490
where:
bonds (distance) C4'-P energy: -37.823
bonds (distance) P-C4' energy: -56.067
flat angles C4'-P-C4' energy: -58.319
flat angles P-C4'-P energy: -33.658
tors. eta vs tors. theta energy: -77.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -889.929863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.929863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.929863 (E_RNA)
where:
Base-Base interactions energy: -624.982
where: short stacking energy: -254.323
Base-Backbone interact. energy: -1.487
local terms energy: -263.460234
where:
bonds (distance) C4'-P energy: -45.370
bonds (distance) P-C4' energy: -51.727
flat angles C4'-P-C4' energy: -58.473
flat angles P-C4'-P energy: -30.451
tors. eta vs tors. theta energy: -77.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -861.144514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.144514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.144514 (E_RNA)
where:
Base-Base interactions energy: -608.825
where: short stacking energy: -257.798
Base-Backbone interact. energy: -1.649
local terms energy: -250.670501
where:
bonds (distance) C4'-P energy: -34.528
bonds (distance) P-C4' energy: -51.926
flat angles C4'-P-C4' energy: -54.839
flat angles P-C4'-P energy: -31.225
tors. eta vs tors. theta energy: -78.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -791.873844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.873844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.873844 (E_RNA)
where:
Base-Base interactions energy: -545.599
where: short stacking energy: -220.483
Base-Backbone interact. energy: -1.161
local terms energy: -245.113900
where:
bonds (distance) C4'-P energy: -44.265
bonds (distance) P-C4' energy: -53.224
flat angles C4'-P-C4' energy: -54.891
flat angles P-C4'-P energy: -28.808
tors. eta vs tors. theta energy: -63.926
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: 4
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -819.966480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.966480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.966480 (E_RNA)
where:
Base-Base interactions energy: -566.019
where: short stacking energy: -236.925
Base-Backbone interact. energy: -0.432
local terms energy: -253.515974
where:
bonds (distance) C4'-P energy: -44.601
bonds (distance) P-C4' energy: -51.821
flat angles C4'-P-C4' energy: -59.283
flat angles P-C4'-P energy: -29.246
tors. eta vs tors. theta energy: -68.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -773.785096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.785096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.785096 (E_RNA)
where:
Base-Base interactions energy: -541.805
where: short stacking energy: -219.872
Base-Backbone interact. energy: -0.465
local terms energy: -231.514811
where:
bonds (distance) C4'-P energy: -44.166
bonds (distance) P-C4' energy: -47.051
flat angles C4'-P-C4' energy: -48.162
flat angles P-C4'-P energy: -35.608
tors. eta vs tors. theta energy: -56.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -718.025816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.025816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.025816 (E_RNA)
where:
Base-Base interactions energy: -496.788
where: short stacking energy: -203.090
Base-Backbone interact. energy: 0.640
local terms energy: -221.877778
where:
bonds (distance) C4'-P energy: -36.924
bonds (distance) P-C4' energy: -50.370
flat angles C4'-P-C4' energy: -52.241
flat angles P-C4'-P energy: -34.334
tors. eta vs tors. theta energy: -48.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -479.342913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.342913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.342913 (E_RNA)
where:
Base-Base interactions energy: -295.208
where: short stacking energy: -130.825
Base-Backbone interact. energy: 0.324
local terms energy: -184.458747
where:
bonds (distance) C4'-P energy: -45.448
bonds (distance) P-C4' energy: -50.772
flat angles C4'-P-C4' energy: -30.502
flat angles P-C4'-P energy: -29.102
tors. eta vs tors. theta energy: -28.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -215.829951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.829951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.829951 (E_RNA)
where:
Base-Base interactions energy: -94.227
where: short stacking energy: -66.554
Base-Backbone interact. energy: 0.477
local terms energy: -122.079658
where:
bonds (distance) C4'-P energy: -30.085
bonds (distance) P-C4' energy: -41.924
flat angles C4'-P-C4' energy: -30.623
flat angles P-C4'-P energy: -25.032
tors. eta vs tors. theta energy: 5.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -932.020918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.020918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.020918 (E_RNA)
where:
Base-Base interactions energy: -656.397
where: short stacking energy: -274.038
Base-Backbone interact. energy: -0.499
local terms energy: -275.125063
where:
bonds (distance) C4'-P energy: -41.734
bonds (distance) P-C4' energy: -56.326
flat angles C4'-P-C4' energy: -56.975
flat angles P-C4'-P energy: -46.082
tors. eta vs tors. theta energy: -74.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -939.841749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.841749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.841749 (E_RNA)
where:
Base-Base interactions energy: -639.704
where: short stacking energy: -271.020
Base-Backbone interact. energy: -1.650
local terms energy: -298.487309
where:
bonds (distance) C4'-P energy: -54.565
bonds (distance) P-C4' energy: -52.520
flat angles C4'-P-C4' energy: -63.594
flat angles P-C4'-P energy: -40.183
tors. eta vs tors. theta energy: -87.626
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: 3, replica: 10
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -876.485125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.485125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.485125 (E_RNA)
where:
Base-Base interactions energy: -596.282
where: short stacking energy: -250.923
Base-Backbone interact. energy: -1.880
local terms energy: -278.322799
where:
bonds (distance) C4'-P energy: -52.496
bonds (distance) P-C4' energy: -56.103
flat angles C4'-P-C4' energy: -54.142
flat angles P-C4'-P energy: -41.572
tors. eta vs tors. theta energy: -74.010
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: 8
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -836.142599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.142599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.142599 (E_RNA)
where:
Base-Base interactions energy: -574.470
where: short stacking energy: -242.585
Base-Backbone interact. energy: 1.010
local terms energy: -262.682800
where:
bonds (distance) C4'-P energy: -48.410
bonds (distance) P-C4' energy: -49.010
flat angles C4'-P-C4' energy: -56.753
flat angles P-C4'-P energy: -35.773
tors. eta vs tors. theta energy: -72.737
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: 4
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -815.885356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.885356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.885356 (E_RNA)
where:
Base-Base interactions energy: -579.437
where: short stacking energy: -244.096
Base-Backbone interact. energy: -0.824
local terms energy: -235.623761
where:
bonds (distance) C4'-P energy: -43.567
bonds (distance) P-C4' energy: -42.112
flat angles C4'-P-C4' energy: -43.671
flat angles P-C4'-P energy: -33.876
tors. eta vs tors. theta energy: -72.398
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: 6, replica: 3
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -766.789490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.789490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.789490 (E_RNA)
where:
Base-Base interactions energy: -534.807
where: short stacking energy: -221.348
Base-Backbone interact. energy: -0.703
local terms energy: -231.279384
where:
bonds (distance) C4'-P energy: -41.806
bonds (distance) P-C4' energy: -42.207
flat angles C4'-P-C4' energy: -45.900
flat angles P-C4'-P energy: -43.372
tors. eta vs tors. theta energy: -57.995
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: 5
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -733.860715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.860715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.860715 (E_RNA)
where:
Base-Base interactions energy: -498.949
where: short stacking energy: -191.167
Base-Backbone interact. energy: -1.508
local terms energy: -233.403660
where:
bonds (distance) C4'-P energy: -53.802
bonds (distance) P-C4' energy: -47.532
flat angles C4'-P-C4' energy: -47.402
flat angles P-C4'-P energy: -36.028
tors. eta vs tors. theta energy: -48.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -747.489250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.489250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.489250 (E_RNA)
where:
Base-Base interactions energy: -519.440
where: short stacking energy: -211.134
Base-Backbone interact. energy: -1.089
local terms energy: -226.960408
where:
bonds (distance) C4'-P energy: -40.588
bonds (distance) P-C4' energy: -49.906
flat angles C4'-P-C4' energy: -46.272
flat angles P-C4'-P energy: -24.930
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: 9, replica: 9
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -468.274546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.274546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.274546 (E_RNA)
where:
Base-Base interactions energy: -276.701
where: short stacking energy: -138.832
Base-Backbone interact. energy: -0.719
local terms energy: -190.854887
where:
bonds (distance) C4'-P energy: -32.335
bonds (distance) P-C4' energy: -43.546
flat angles C4'-P-C4' energy: -48.070
flat angles P-C4'-P energy: -33.389
tors. eta vs tors. theta energy: -33.516
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: 6
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -253.197867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.197867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.197867 (E_RNA)
where:
Base-Base interactions energy: -93.108
where: short stacking energy: -66.873
Base-Backbone interact. energy: -1.213
local terms energy: -158.876909
where:
bonds (distance) C4'-P energy: -28.038
bonds (distance) P-C4' energy: -50.183
flat angles C4'-P-C4' energy: -50.121
flat angles P-C4'-P energy: -22.451
tors. eta vs tors. theta energy: -8.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -938.642490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.642490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.642490 (E_RNA)
where:
Base-Base interactions energy: -651.548
where: short stacking energy: -262.844
Base-Backbone interact. energy: -0.927
local terms energy: -286.167298
where:
bonds (distance) C4'-P energy: -52.977
bonds (distance) P-C4' energy: -56.700
flat angles C4'-P-C4' energy: -58.745
flat angles P-C4'-P energy: -43.108
tors. eta vs tors. theta energy: -74.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -949.053678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.053678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.053678 (E_RNA)
where:
Base-Base interactions energy: -665.587
where: short stacking energy: -293.716
Base-Backbone interact. energy: -0.771
local terms energy: -282.695529
where:
bonds (distance) C4'-P energy: -49.388
bonds (distance) P-C4' energy: -48.293
flat angles C4'-P-C4' energy: -56.392
flat angles P-C4'-P energy: -38.457
tors. eta vs tors. theta energy: -90.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -861.386050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.386050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.386050 (E_RNA)
where:
Base-Base interactions energy: -607.279
where: short stacking energy: -255.230
Base-Backbone interact. energy: 1.524
local terms energy: -255.630343
where:
bonds (distance) C4'-P energy: -41.247
bonds (distance) P-C4' energy: -48.765
flat angles C4'-P-C4' energy: -55.540
flat angles P-C4'-P energy: -38.312
tors. eta vs tors. theta energy: -71.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -863.480596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.480596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.480596 (E_RNA)
where:
Base-Base interactions energy: -601.261
where: short stacking energy: -254.582
Base-Backbone interact. energy: -0.062
local terms energy: -262.157316
where:
bonds (distance) C4'-P energy: -43.348
bonds (distance) P-C4' energy: -51.102
flat angles C4'-P-C4' energy: -60.247
flat angles P-C4'-P energy: -33.351
tors. eta vs tors. theta energy: -74.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -794.445088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.445088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.445088 (E_RNA)
where:
Base-Base interactions energy: -546.935
where: short stacking energy: -215.406
Base-Backbone interact. energy: -0.170
local terms energy: -247.340526
where:
bonds (distance) C4'-P energy: -48.396
bonds (distance) P-C4' energy: -48.474
flat angles C4'-P-C4' energy: -58.964
flat angles P-C4'-P energy: -28.066
tors. eta vs tors. theta energy: -63.441
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: 5
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -752.557855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.557855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.557855 (E_RNA)
where:
Base-Base interactions energy: -536.787
where: short stacking energy: -232.049
Base-Backbone interact. energy: -0.421
local terms energy: -215.349723
where:
bonds (distance) C4'-P energy: -37.050
bonds (distance) P-C4' energy: -41.360
flat angles C4'-P-C4' energy: -46.906
flat angles P-C4'-P energy: -32.102
tors. eta vs tors. theta energy: -57.931
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: 3
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -760.297627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.297627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.297627 (E_RNA)
where:
Base-Base interactions energy: -525.573
where: short stacking energy: -212.721
Base-Backbone interact. energy: -0.794
local terms energy: -233.930787
where:
bonds (distance) C4'-P energy: -40.098
bonds (distance) P-C4' energy: -54.601
flat angles C4'-P-C4' energy: -41.972
flat angles P-C4'-P energy: -30.736
tors. eta vs tors. theta energy: -66.525
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: 8, replica: 7
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -768.477519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.477519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.477519 (E_RNA)
where:
Base-Base interactions energy: -529.059
where: short stacking energy: -209.288
Base-Backbone interact. energy: -1.448
local terms energy: -237.970788
where:
bonds (distance) C4'-P energy: -54.314
bonds (distance) P-C4' energy: -44.066
flat angles C4'-P-C4' energy: -52.627
flat angles P-C4'-P energy: -27.606
tors. eta vs tors. theta energy: -59.357
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: 361
Temperature: 1.300000
Total energy: -479.424965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.424965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.424965 (E_RNA)
where:
Base-Base interactions energy: -305.737
where: short stacking energy: -137.530
Base-Backbone interact. energy: -0.469
local terms energy: -173.219122
where:
bonds (distance) C4'-P energy: -33.279
bonds (distance) P-C4' energy: -36.093
flat angles C4'-P-C4' energy: -46.118
flat angles P-C4'-P energy: -33.299
tors. eta vs tors. theta energy: -24.430
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: 6
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -223.696494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.696494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.696494 (E_RNA)
where:
Base-Base interactions energy: -89.746
where: short stacking energy: -81.838
Base-Backbone interact. energy: 0.208
local terms energy: -134.158084
where:
bonds (distance) C4'-P energy: -44.580
bonds (distance) P-C4' energy: -40.866
flat angles C4'-P-C4' energy: -24.107
flat angles P-C4'-P energy: -21.756
tors. eta vs tors. theta energy: -2.850
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: 362
Temperature: 0.900000
Total energy: -938.343981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.343981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.343981 (E_RNA)
where:
Base-Base interactions energy: -645.851
where: short stacking energy: -287.017
Base-Backbone interact. energy: 0.168
local terms energy: -292.660988
where:
bonds (distance) C4'-P energy: -49.735
bonds (distance) P-C4' energy: -55.196
flat angles C4'-P-C4' energy: -60.032
flat angles P-C4'-P energy: -44.475
tors. eta vs tors. theta energy: -83.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -923.368442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.368442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.368442 (E_RNA)
where:
Base-Base interactions energy: -658.386
where: short stacking energy: -278.510
Base-Backbone interact. energy: -1.472
local terms energy: -263.509914
where:
bonds (distance) C4'-P energy: -44.495
bonds (distance) P-C4' energy: -47.373
flat angles C4'-P-C4' energy: -52.727
flat angles P-C4'-P energy: -42.277
tors. eta vs tors. theta energy: -76.638
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: 8
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -867.761877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.761877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.761877 (E_RNA)
where:
Base-Base interactions energy: -600.401
where: short stacking energy: -246.132
Base-Backbone interact. energy: -1.093
local terms energy: -266.268326
where:
bonds (distance) C4'-P energy: -46.645
bonds (distance) P-C4' energy: -54.328
flat angles C4'-P-C4' energy: -59.898
flat angles P-C4'-P energy: -33.472
tors. eta vs tors. theta energy: -71.924
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: 10
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -835.492896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.492896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.492896 (E_RNA)
where:
Base-Base interactions energy: -556.710
where: short stacking energy: -234.520
Base-Backbone interact. energy: -0.323
local terms energy: -278.459621
where:
bonds (distance) C4'-P energy: -52.070
bonds (distance) P-C4' energy: -50.075
flat angles C4'-P-C4' energy: -64.465
flat angles P-C4'-P energy: -37.811
tors. eta vs tors. theta energy: -74.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -785.665070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.665070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.665070 (E_RNA)
where:
Base-Base interactions energy: -542.492
where: short stacking energy: -209.790
Base-Backbone interact. energy: -0.655
local terms energy: -242.517932
where:
bonds (distance) C4'-P energy: -48.790
bonds (distance) P-C4' energy: -47.906
flat angles C4'-P-C4' energy: -49.567
flat angles P-C4'-P energy: -41.173
tors. eta vs tors. theta energy: -55.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -789.238413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.238413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.238413 (E_RNA)
where:
Base-Base interactions energy: -551.143
where: short stacking energy: -225.801
Base-Backbone interact. energy: -0.058
local terms energy: -238.037096
where:
bonds (distance) C4'-P energy: -39.973
bonds (distance) P-C4' energy: -41.855
flat angles C4'-P-C4' energy: -53.050
flat angles P-C4'-P energy: -38.218
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: 7, replica: 3
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -770.015052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.015052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.015052 (E_RNA)
where:
Base-Base interactions energy: -548.084
where: short stacking energy: -228.422
Base-Backbone interact. energy: 2.798
local terms energy: -224.729560
where:
bonds (distance) C4'-P energy: -47.221
bonds (distance) P-C4' energy: -43.401
flat angles C4'-P-C4' energy: -51.538
flat angles P-C4'-P energy: -27.995
tors. eta vs tors. theta energy: -54.574
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: 362
Temperature: 1.250000
Total energy: -751.959981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.959981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.959981 (E_RNA)
where:
Base-Base interactions energy: -507.303
where: short stacking energy: -210.845
Base-Backbone interact. energy: 1.876
local terms energy: -246.532226
where:
bonds (distance) C4'-P energy: -48.458
bonds (distance) P-C4' energy: -48.299
flat angles C4'-P-C4' energy: -46.473
flat angles P-C4'-P energy: -38.750
tors. eta vs tors. theta energy: -64.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -437.147402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.147402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.147402 (E_RNA)
where:
Base-Base interactions energy: -263.361
where: short stacking energy: -130.923
Base-Backbone interact. energy: 4.850
local terms energy: -178.636171
where:
bonds (distance) C4'-P energy: -41.017
bonds (distance) P-C4' energy: -42.717
flat angles C4'-P-C4' energy: -39.253
flat angles P-C4'-P energy: -26.534
tors. eta vs tors. theta energy: -29.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -205.082590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.082590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.082590 (E_RNA)
where:
Base-Base interactions energy: -62.280
where: short stacking energy: -39.535
Base-Backbone interact. energy: -3.262
local terms energy: -139.540387
where:
bonds (distance) C4'-P energy: -47.138
bonds (distance) P-C4' energy: -55.484
flat angles C4'-P-C4' energy: -32.481
flat angles P-C4'-P energy: -12.107
tors. eta vs tors. theta energy: 7.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -969.189476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.189476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.189476 (E_RNA)
where:
Base-Base interactions energy: -682.726
where: short stacking energy: -288.327
Base-Backbone interact. energy: 0.373
local terms energy: -286.836927
where:
bonds (distance) C4'-P energy: -49.796
bonds (distance) P-C4' energy: -48.307
flat angles C4'-P-C4' energy: -58.598
flat angles P-C4'-P energy: -44.887
tors. eta vs tors. theta energy: -85.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -924.499647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.499647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.499647 (E_RNA)
where:
Base-Base interactions energy: -643.484
where: short stacking energy: -269.858
Base-Backbone interact. energy: 0.049
local terms energy: -281.064074
where:
bonds (distance) C4'-P energy: -50.622
bonds (distance) P-C4' energy: -50.977
flat angles C4'-P-C4' energy: -58.226
flat angles P-C4'-P energy: -43.850
tors. eta vs tors. theta energy: -77.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -878.418393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.418393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.418393 (E_RNA)
where:
Base-Base interactions energy: -603.966
where: short stacking energy: -261.458
Base-Backbone interact. energy: -1.057
local terms energy: -273.395217
where:
bonds (distance) C4'-P energy: -47.519
bonds (distance) P-C4' energy: -52.628
flat angles C4'-P-C4' energy: -49.140
flat angles P-C4'-P energy: -37.346
tors. eta vs tors. theta energy: -86.762
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: 10
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -858.499030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.499030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.499030 (E_RNA)
where:
Base-Base interactions energy: -600.031
where: short stacking energy: -244.168
Base-Backbone interact. energy: 0.607
local terms energy: -259.074672
where:
bonds (distance) C4'-P energy: -51.105
bonds (distance) P-C4' energy: -40.105
flat angles C4'-P-C4' energy: -54.341
flat angles P-C4'-P energy: -35.473
tors. eta vs tors. theta energy: -78.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -800.429055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.429055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.429055 (E_RNA)
where:
Base-Base interactions energy: -560.146
where: short stacking energy: -246.831
Base-Backbone interact. energy: -0.829
local terms energy: -239.453862
where:
bonds (distance) C4'-P energy: -43.663
bonds (distance) P-C4' energy: -38.491
flat angles C4'-P-C4' energy: -50.176
flat angles P-C4'-P energy: -36.980
tors. eta vs tors. theta energy: -70.144
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: 4
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -771.731663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.731663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.731663 (E_RNA)
where:
Base-Base interactions energy: -527.767
where: short stacking energy: -221.556
Base-Backbone interact. energy: -1.755
local terms energy: -242.210463
where:
bonds (distance) C4'-P energy: -44.433
bonds (distance) P-C4' energy: -50.503
flat angles C4'-P-C4' energy: -51.703
flat angles P-C4'-P energy: -35.227
tors. eta vs tors. theta energy: -60.344
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: 3
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -746.324922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.324922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.324922 (E_RNA)
where:
Base-Base interactions energy: -519.811
where: short stacking energy: -215.862
Base-Backbone interact. energy: 0.897
local terms energy: -227.410181
where:
bonds (distance) C4'-P energy: -37.031
bonds (distance) P-C4' energy: -48.558
flat angles C4'-P-C4' energy: -46.560
flat angles P-C4'-P energy: -33.415
tors. eta vs tors. theta energy: -61.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -742.653438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.653438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.653438 (E_RNA)
where:
Base-Base interactions energy: -501.281
where: short stacking energy: -220.226
Base-Backbone interact. energy: 0.757
local terms energy: -242.129482
where:
bonds (distance) C4'-P energy: -40.583
bonds (distance) P-C4' energy: -54.055
flat angles C4'-P-C4' energy: -47.438
flat angles P-C4'-P energy: -35.547
tors. eta vs tors. theta energy: -64.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -464.317288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.317288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.317288 (E_RNA)
where:
Base-Base interactions energy: -289.726
where: short stacking energy: -149.198
Base-Backbone interact. energy: -1.384
local terms energy: -173.207623
where:
bonds (distance) C4'-P energy: -36.714
bonds (distance) P-C4' energy: -44.107
flat angles C4'-P-C4' energy: -49.977
flat angles P-C4'-P energy: -17.885
tors. eta vs tors. theta energy: -24.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -210.102349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.102349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.102349 (E_RNA)
where:
Base-Base interactions energy: -67.007
where: short stacking energy: -58.438
Base-Backbone interact. energy: -0.596
local terms energy: -142.498481
where:
bonds (distance) C4'-P energy: -37.334
bonds (distance) P-C4' energy: -48.715
flat angles C4'-P-C4' energy: -43.682
flat angles P-C4'-P energy: -28.859
tors. eta vs tors. theta energy: 16.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -971.038597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.038597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.038597 (E_RNA)
where:
Base-Base interactions energy: -672.376
where: short stacking energy: -297.309
Base-Backbone interact. energy: -0.862
local terms energy: -297.800155
where:
bonds (distance) C4'-P energy: -55.214
bonds (distance) P-C4' energy: -52.093
flat angles C4'-P-C4' energy: -57.543
flat angles P-C4'-P energy: -45.761
tors. eta vs tors. theta energy: -87.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -916.971014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.971014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.971014 (E_RNA)
where:
Base-Base interactions energy: -651.078
where: short stacking energy: -267.677
Base-Backbone interact. energy: -1.480
local terms energy: -264.412635
where:
bonds (distance) C4'-P energy: -51.350
bonds (distance) P-C4' energy: -50.735
flat angles C4'-P-C4' energy: -53.175
flat angles P-C4'-P energy: -33.088
tors. eta vs tors. theta energy: -76.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -898.017524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.017524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.017524 (E_RNA)
where:
Base-Base interactions energy: -621.608
where: short stacking energy: -257.802
Base-Backbone interact. energy: -0.589
local terms energy: -275.820823
where:
bonds (distance) C4'-P energy: -54.382
bonds (distance) P-C4' energy: -53.792
flat angles C4'-P-C4' energy: -50.278
flat angles P-C4'-P energy: -39.838
tors. eta vs tors. theta energy: -77.530
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: 8
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -859.968962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.968962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.968962 (E_RNA)
where:
Base-Base interactions energy: -598.852
where: short stacking energy: -250.067
Base-Backbone interact. energy: -0.408
local terms energy: -260.708448
where:
bonds (distance) C4'-P energy: -45.939
bonds (distance) P-C4' energy: -45.554
flat angles C4'-P-C4' energy: -55.126
flat angles P-C4'-P energy: -41.737
tors. eta vs tors. theta energy: -72.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -802.736741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.736741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.736741 (E_RNA)
where:
Base-Base interactions energy: -556.092
where: short stacking energy: -231.139
Base-Backbone interact. energy: -1.303
local terms energy: -245.342202
where:
bonds (distance) C4'-P energy: -44.935
bonds (distance) P-C4' energy: -42.146
flat angles C4'-P-C4' energy: -58.410
flat angles P-C4'-P energy: -35.619
tors. eta vs tors. theta energy: -64.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -770.521622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.521622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.521622 (E_RNA)
where:
Base-Base interactions energy: -545.300
where: short stacking energy: -218.739
Base-Backbone interact. energy: -1.239
local terms energy: -223.983605
where:
bonds (distance) C4'-P energy: -39.521
bonds (distance) P-C4' energy: -41.835
flat angles C4'-P-C4' energy: -54.906
flat angles P-C4'-P energy: -25.482
tors. eta vs tors. theta energy: -62.241
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: 7
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -800.049608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.049608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.049608 (E_RNA)
where:
Base-Base interactions energy: -553.815
where: short stacking energy: -230.292
Base-Backbone interact. energy: -0.406
local terms energy: -245.828095
where:
bonds (distance) C4'-P energy: -52.630
bonds (distance) P-C4' energy: -42.724
flat angles C4'-P-C4' energy: -51.297
flat angles P-C4'-P energy: -28.207
tors. eta vs tors. theta energy: -70.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -725.192636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.192636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.192636 (E_RNA)
where:
Base-Base interactions energy: -512.596
where: short stacking energy: -217.511
Base-Backbone interact. energy: -0.319
local terms energy: -212.277451
where:
bonds (distance) C4'-P energy: -38.879
bonds (distance) P-C4' energy: -33.324
flat angles C4'-P-C4' energy: -53.464
flat angles P-C4'-P energy: -25.151
tors. eta vs tors. theta energy: -61.459
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: 364
Temperature: 1.300000
Total energy: -483.563551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.563551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.563551 (E_RNA)
where:
Base-Base interactions energy: -300.788
where: short stacking energy: -152.854
Base-Backbone interact. energy: 4.677
local terms energy: -187.451701
where:
bonds (distance) C4'-P energy: -41.845
bonds (distance) P-C4' energy: -41.000
flat angles C4'-P-C4' energy: -39.822
flat angles P-C4'-P energy: -25.425
tors. eta vs tors. theta energy: -39.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -218.303947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.303947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.303947 (E_RNA)
where:
Base-Base interactions energy: -102.018
where: short stacking energy: -73.823
Base-Backbone interact. energy: -0.363
local terms energy: -115.922930
where:
bonds (distance) C4'-P energy: -44.240
bonds (distance) P-C4' energy: -43.456
flat angles C4'-P-C4' energy: -36.550
flat angles P-C4'-P energy: -3.627
tors. eta vs tors. theta energy: 11.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -956.814015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.814015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.814015 (E_RNA)
where:
Base-Base interactions energy: -654.652
where: short stacking energy: -275.067
Base-Backbone interact. energy: -1.897
local terms energy: -300.264993
where:
bonds (distance) C4'-P energy: -52.663
bonds (distance) P-C4' energy: -59.741
flat angles C4'-P-C4' energy: -58.622
flat angles P-C4'-P energy: -44.876
tors. eta vs tors. theta energy: -84.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -936.424664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.424664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.424664 (E_RNA)
where:
Base-Base interactions energy: -653.892
where: short stacking energy: -281.080
Base-Backbone interact. energy: -1.210
local terms energy: -281.323429
where:
bonds (distance) C4'-P energy: -45.028
bonds (distance) P-C4' energy: -54.161
flat angles C4'-P-C4' energy: -58.892
flat angles P-C4'-P energy: -41.281
tors. eta vs tors. theta energy: -81.963
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: 3, replica: 10
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -908.327053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.327053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.327053 (E_RNA)
where:
Base-Base interactions energy: -625.837
where: short stacking energy: -258.071
Base-Backbone interact. energy: -1.049
local terms energy: -281.440972
where:
bonds (distance) C4'-P energy: -48.800
bonds (distance) P-C4' energy: -49.104
flat angles C4'-P-C4' energy: -60.790
flat angles P-C4'-P energy: -45.840
tors. eta vs tors. theta energy: -76.908
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: 4, replica: 8
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -864.369515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.369515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.369515 (E_RNA)
where:
Base-Base interactions energy: -589.131
where: short stacking energy: -260.042
Base-Backbone interact. energy: 4.587
local terms energy: -279.824829
where:
bonds (distance) C4'-P energy: -58.253
bonds (distance) P-C4' energy: -50.273
flat angles C4'-P-C4' energy: -54.456
flat angles P-C4'-P energy: -39.842
tors. eta vs tors. theta energy: -77.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -804.218770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.218770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.218770 (E_RNA)
where:
Base-Base interactions energy: -543.108
where: short stacking energy: -213.601
Base-Backbone interact. energy: -1.499
local terms energy: -259.611597
where:
bonds (distance) C4'-P energy: -45.881
bonds (distance) P-C4' energy: -57.134
flat angles C4'-P-C4' energy: -61.351
flat angles P-C4'-P energy: -33.481
tors. eta vs tors. theta energy: -61.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -802.047802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.047802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.047802 (E_RNA)
where:
Base-Base interactions energy: -558.337
where: short stacking energy: -227.766
Base-Backbone interact. energy: 2.826
local terms energy: -246.536451
where:
bonds (distance) C4'-P energy: -32.655
bonds (distance) P-C4' energy: -56.083
flat angles C4'-P-C4' energy: -47.169
flat angles P-C4'-P energy: -41.469
tors. eta vs tors. theta energy: -69.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -760.150742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.150742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.150742 (E_RNA)
where:
Base-Base interactions energy: -532.976
where: short stacking energy: -215.996
Base-Backbone interact. energy: -0.302
local terms energy: -226.872198
where:
bonds (distance) C4'-P energy: -45.599
bonds (distance) P-C4' energy: -42.976
flat angles C4'-P-C4' energy: -55.565
flat angles P-C4'-P energy: -31.655
tors. eta vs tors. theta energy: -51.077
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: 3
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -737.321298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.321298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.321298 (E_RNA)
where:
Base-Base interactions energy: -497.416
where: short stacking energy: -219.404
Base-Backbone interact. energy: 0.553
local terms energy: -240.457978
where:
bonds (distance) C4'-P energy: -47.701
bonds (distance) P-C4' energy: -44.716
flat angles C4'-P-C4' energy: -55.519
flat angles P-C4'-P energy: -34.733
tors. eta vs tors. theta energy: -57.789
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: 9
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -449.263042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.263042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.263042 (E_RNA)
where:
Base-Base interactions energy: -284.796
where: short stacking energy: -149.607
Base-Backbone interact. energy: 1.961
local terms energy: -166.427932
where:
bonds (distance) C4'-P energy: -36.270
bonds (distance) P-C4' energy: -45.705
flat angles C4'-P-C4' energy: -25.388
flat angles P-C4'-P energy: -31.132
tors. eta vs tors. theta energy: -27.933
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: 6
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -203.072809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.072809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.072809 (E_RNA)
where:
Base-Base interactions energy: -52.105
where: short stacking energy: -48.640
Base-Backbone interact. energy: -0.881
local terms energy: -150.086854
where:
bonds (distance) C4'-P energy: -51.980
bonds (distance) P-C4' energy: -43.078
flat angles C4'-P-C4' energy: -44.266
flat angles P-C4'-P energy: -23.326
tors. eta vs tors. theta energy: 12.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -962.253145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.253145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.253145 (E_RNA)
where:
Base-Base interactions energy: -673.701
where: short stacking energy: -292.472
Base-Backbone interact. energy: -0.219
local terms energy: -288.332932
where:
bonds (distance) C4'-P energy: -52.915
bonds (distance) P-C4' energy: -45.066
flat angles C4'-P-C4' energy: -62.590
flat angles P-C4'-P energy: -43.296
tors. eta vs tors. theta energy: -84.466
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: 366
Temperature: 0.950000
Total energy: -942.692791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.692791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.692791 (E_RNA)
where:
Base-Base interactions energy: -654.135
where: short stacking energy: -279.182
Base-Backbone interact. energy: -1.710
local terms energy: -286.846926
where:
bonds (distance) C4'-P energy: -53.685
bonds (distance) P-C4' energy: -52.035
flat angles C4'-P-C4' energy: -65.705
flat angles P-C4'-P energy: -32.481
tors. eta vs tors. theta energy: -82.941
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: 3, replica: 10
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -878.075561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.075561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.075561 (E_RNA)
where:
Base-Base interactions energy: -603.206
where: short stacking energy: -255.143
Base-Backbone interact. energy: -0.592
local terms energy: -274.277933
where:
bonds (distance) C4'-P energy: -48.157
bonds (distance) P-C4' energy: -52.477
flat angles C4'-P-C4' energy: -55.967
flat angles P-C4'-P energy: -40.644
tors. eta vs tors. theta energy: -77.033
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: 8
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -842.572128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.572128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.572128 (E_RNA)
where:
Base-Base interactions energy: -573.166
where: short stacking energy: -247.877
Base-Backbone interact. energy: -0.493
local terms energy: -268.913161
where:
bonds (distance) C4'-P energy: -41.628
bonds (distance) P-C4' energy: -51.724
flat angles C4'-P-C4' energy: -59.090
flat angles P-C4'-P energy: -44.015
tors. eta vs tors. theta energy: -72.456
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: 4
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -823.637323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.637323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.637323 (E_RNA)
where:
Base-Base interactions energy: -570.356
where: short stacking energy: -233.752
Base-Backbone interact. energy: -1.347
local terms energy: -251.934317
where:
bonds (distance) C4'-P energy: -41.381
bonds (distance) P-C4' energy: -51.175
flat angles C4'-P-C4' energy: -61.185
flat angles P-C4'-P energy: -35.924
tors. eta vs tors. theta energy: -62.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -792.188192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.188192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.188192 (E_RNA)
where:
Base-Base interactions energy: -554.752
where: short stacking energy: -226.402
Base-Backbone interact. energy: 0.617
local terms energy: -238.053240
where:
bonds (distance) C4'-P energy: -38.315
bonds (distance) P-C4' energy: -48.521
flat angles C4'-P-C4' energy: -55.994
flat angles P-C4'-P energy: -35.245
tors. eta vs tors. theta energy: -59.978
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: 5
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -734.104389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.104389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.104389 (E_RNA)
where:
Base-Base interactions energy: -519.960
where: short stacking energy: -207.570
Base-Backbone interact. energy: -0.803
local terms energy: -213.340937
where:
bonds (distance) C4'-P energy: -38.426
bonds (distance) P-C4' energy: -44.182
flat angles C4'-P-C4' energy: -50.671
flat angles P-C4'-P energy: -28.622
tors. eta vs tors. theta energy: -51.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -717.648421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.648421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.648421 (E_RNA)
where:
Base-Base interactions energy: -501.096
where: short stacking energy: -206.715
Base-Backbone interact. energy: -0.836
local terms energy: -215.716376
where:
bonds (distance) C4'-P energy: -37.322
bonds (distance) P-C4' energy: -49.771
flat angles C4'-P-C4' energy: -41.575
flat angles P-C4'-P energy: -27.351
tors. eta vs tors. theta energy: -59.697
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: 366
Temperature: 1.300000
Total energy: -465.162141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.162141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.162141 (E_RNA)
where:
Base-Base interactions energy: -270.612
where: short stacking energy: -124.752
Base-Backbone interact. energy: -1.195
local terms energy: -193.355362
where:
bonds (distance) C4'-P energy: -52.187
bonds (distance) P-C4' energy: -40.152
flat angles C4'-P-C4' energy: -49.061
flat angles P-C4'-P energy: -33.209
tors. eta vs tors. theta energy: -18.746
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: 6
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -228.869501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.869501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.869501 (E_RNA)
where:
Base-Base interactions energy: -84.970
where: short stacking energy: -73.668
Base-Backbone interact. energy: -0.961
local terms energy: -142.939124
where:
bonds (distance) C4'-P energy: -43.160
bonds (distance) P-C4' energy: -40.984
flat angles C4'-P-C4' energy: -43.396
flat angles P-C4'-P energy: -19.137
tors. eta vs tors. theta energy: 3.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -943.028913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.028913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.028913 (E_RNA)
where:
Base-Base interactions energy: -650.984
where: short stacking energy: -293.593
Base-Backbone interact. energy: -0.658
local terms energy: -291.387113
where:
bonds (distance) C4'-P energy: -43.916
bonds (distance) P-C4' energy: -61.828
flat angles C4'-P-C4' energy: -54.552
flat angles P-C4'-P energy: -45.978
tors. eta vs tors. theta energy: -85.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -951.098680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.098680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.098680 (E_RNA)
where:
Base-Base interactions energy: -647.427
where: short stacking energy: -297.668
Base-Backbone interact. energy: -0.603
local terms energy: -303.069213
where:
bonds (distance) C4'-P energy: -57.133
bonds (distance) P-C4' energy: -56.852
flat angles C4'-P-C4' energy: -54.573
flat angles P-C4'-P energy: -44.513
tors. eta vs tors. theta energy: -89.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -900.655429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.655429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.655429 (E_RNA)
where:
Base-Base interactions energy: -621.250
where: short stacking energy: -251.988
Base-Backbone interact. energy: -1.837
local terms energy: -277.569078
where:
bonds (distance) C4'-P energy: -46.220
bonds (distance) P-C4' energy: -48.586
flat angles C4'-P-C4' energy: -63.895
flat angles P-C4'-P energy: -35.664
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: 4, replica: 8
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -879.373362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.373362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.373362 (E_RNA)
where:
Base-Base interactions energy: -612.224
where: short stacking energy: -277.781
Base-Backbone interact. energy: -0.992
local terms energy: -266.156954
where:
bonds (distance) C4'-P energy: -56.811
bonds (distance) P-C4' energy: -50.337
flat angles C4'-P-C4' energy: -48.901
flat angles P-C4'-P energy: -29.016
tors. eta vs tors. theta energy: -81.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -787.140787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.140787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.140787 (E_RNA)
where:
Base-Base interactions energy: -530.115
where: short stacking energy: -218.727
Base-Backbone interact. energy: -1.039
local terms energy: -255.986691
where:
bonds (distance) C4'-P energy: -46.550
bonds (distance) P-C4' energy: -46.177
flat angles C4'-P-C4' energy: -62.591
flat angles P-C4'-P energy: -39.525
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: 367
Temperature: 1.150000
Total energy: -813.918449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.918449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.918449 (E_RNA)
where:
Base-Base interactions energy: -563.004
where: short stacking energy: -237.047
Base-Backbone interact. energy: -1.349
local terms energy: -249.565532
where:
bonds (distance) C4'-P energy: -41.723
bonds (distance) P-C4' energy: -52.020
flat angles C4'-P-C4' energy: -48.770
flat angles P-C4'-P energy: -38.083
tors. eta vs tors. theta energy: -68.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -729.979402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.979402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.979402 (E_RNA)
where:
Base-Base interactions energy: -495.475
where: short stacking energy: -198.506
Base-Backbone interact. energy: -1.331
local terms energy: -233.173449
where:
bonds (distance) C4'-P energy: -45.115
bonds (distance) P-C4' energy: -51.516
flat angles C4'-P-C4' energy: -49.806
flat angles P-C4'-P energy: -34.347
tors. eta vs tors. theta energy: -52.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -718.748807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.748807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.748807 (E_RNA)
where:
Base-Base interactions energy: -497.533
where: short stacking energy: -195.781
Base-Backbone interact. energy: 2.902
local terms energy: -224.117355
where:
bonds (distance) C4'-P energy: -46.938
bonds (distance) P-C4' energy: -39.804
flat angles C4'-P-C4' energy: -44.648
flat angles P-C4'-P energy: -40.055
tors. eta vs tors. theta energy: -52.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -458.260765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.260765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.260765 (E_RNA)
where:
Base-Base interactions energy: -265.190
where: short stacking energy: -131.591
Base-Backbone interact. energy: -1.085
local terms energy: -191.985401
where:
bonds (distance) C4'-P energy: -46.788
bonds (distance) P-C4' energy: -43.620
flat angles C4'-P-C4' energy: -43.153
flat angles P-C4'-P energy: -34.276
tors. eta vs tors. theta energy: -24.149
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: 6
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -221.590472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.590472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.590472 (E_RNA)
where:
Base-Base interactions energy: -67.948
where: short stacking energy: -56.495
Base-Backbone interact. energy: 1.339
local terms energy: -154.981492
where:
bonds (distance) C4'-P energy: -42.810
bonds (distance) P-C4' energy: -46.987
flat angles C4'-P-C4' energy: -40.300
flat angles P-C4'-P energy: -26.150
tors. eta vs tors. theta energy: 1.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -957.889961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.889961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.889961 (E_RNA)
where:
Base-Base interactions energy: -654.677
where: short stacking energy: -293.623
Base-Backbone interact. energy: -1.913
local terms energy: -301.300300
where:
bonds (distance) C4'-P energy: -54.850
bonds (distance) P-C4' energy: -54.189
flat angles C4'-P-C4' energy: -55.748
flat angles P-C4'-P energy: -46.874
tors. eta vs tors. theta energy: -89.639
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: 368
Temperature: 0.950000
Total energy: -921.702302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.702302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.702302 (E_RNA)
where:
Base-Base interactions energy: -634.857
where: short stacking energy: -265.470
Base-Backbone interact. energy: 1.467
local terms energy: -288.311732
where:
bonds (distance) C4'-P energy: -53.349
bonds (distance) P-C4' energy: -53.696
flat angles C4'-P-C4' energy: -59.130
flat angles P-C4'-P energy: -43.430
tors. eta vs tors. theta energy: -78.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -915.452166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.452166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.452166 (E_RNA)
where:
Base-Base interactions energy: -636.907
where: short stacking energy: -262.690
Base-Backbone interact. energy: -1.387
local terms energy: -277.157763
where:
bonds (distance) C4'-P energy: -42.446
bonds (distance) P-C4' energy: -55.287
flat angles C4'-P-C4' energy: -58.622
flat angles P-C4'-P energy: -38.390
tors. eta vs tors. theta energy: -82.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -853.392408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.392408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.392408 (E_RNA)
where:
Base-Base interactions energy: -585.244
where: short stacking energy: -247.352
Base-Backbone interact. energy: -0.111
local terms energy: -268.036891
where:
bonds (distance) C4'-P energy: -46.266
bonds (distance) P-C4' energy: -47.358
flat angles C4'-P-C4' energy: -51.065
flat angles P-C4'-P energy: -41.141
tors. eta vs tors. theta energy: -82.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -839.368422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.368422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.368422 (E_RNA)
where:
Base-Base interactions energy: -571.854
where: short stacking energy: -236.675
Base-Backbone interact. energy: -1.327
local terms energy: -266.187621
where:
bonds (distance) C4'-P energy: -51.446
bonds (distance) P-C4' energy: -59.073
flat angles C4'-P-C4' energy: -57.820
flat angles P-C4'-P energy: -29.149
tors. eta vs tors. theta energy: -68.700
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: 368
Temperature: 1.150000
Total energy: -762.159715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.159715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.159715 (E_RNA)
where:
Base-Base interactions energy: -551.046
where: short stacking energy: -223.998
Base-Backbone interact. energy: 0.276
local terms energy: -211.389722
where:
bonds (distance) C4'-P energy: -29.695
bonds (distance) P-C4' energy: -46.418
flat angles C4'-P-C4' energy: -52.372
flat angles P-C4'-P energy: -31.534
tors. eta vs tors. theta energy: -51.371
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: 3
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -689.149519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.149519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.149519 (E_RNA)
where:
Base-Base interactions energy: -481.657
where: short stacking energy: -209.729
Base-Backbone interact. energy: -0.922
local terms energy: -206.570331
where:
bonds (distance) C4'-P energy: -43.697
bonds (distance) P-C4' energy: -36.935
flat angles C4'-P-C4' energy: -43.430
flat angles P-C4'-P energy: -26.671
tors. eta vs tors. theta energy: -55.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -742.436907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.436907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.436907 (E_RNA)
where:
Base-Base interactions energy: -516.999
where: short stacking energy: -201.349
Base-Backbone interact. energy: -0.849
local terms energy: -224.589530
where:
bonds (distance) C4'-P energy: -40.859
bonds (distance) P-C4' energy: -49.918
flat angles C4'-P-C4' energy: -51.636
flat angles P-C4'-P energy: -36.732
tors. eta vs tors. theta energy: -45.446
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: 9
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -468.808250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.808250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.808250 (E_RNA)
where:
Base-Base interactions energy: -290.142
where: short stacking energy: -144.908
Base-Backbone interact. energy: 0.640
local terms energy: -179.306322
where:
bonds (distance) C4'-P energy: -38.327
bonds (distance) P-C4' energy: -42.352
flat angles C4'-P-C4' energy: -35.332
flat angles P-C4'-P energy: -32.352
tors. eta vs tors. theta energy: -30.943
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: 6
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -228.794067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.794067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.794067 (E_RNA)
where:
Base-Base interactions energy: -76.873
where: short stacking energy: -60.731
Base-Backbone interact. energy: -0.245
local terms energy: -151.676971
where:
bonds (distance) C4'-P energy: -38.860
bonds (distance) P-C4' energy: -53.134
flat angles C4'-P-C4' energy: -42.672
flat angles P-C4'-P energy: -25.491
tors. eta vs tors. theta energy: 8.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -953.853202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.853202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.853202 (E_RNA)
where:
Base-Base interactions energy: -654.280
where: short stacking energy: -294.503
Base-Backbone interact. energy: -1.835
local terms energy: -297.738039
where:
bonds (distance) C4'-P energy: -54.867
bonds (distance) P-C4' energy: -50.957
flat angles C4'-P-C4' energy: -58.282
flat angles P-C4'-P energy: -44.311
tors. eta vs tors. theta energy: -89.321
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: 369
Temperature: 0.950000
Total energy: -921.000077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.000077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.000077 (E_RNA)
where:
Base-Base interactions energy: -643.887
where: short stacking energy: -277.827
Base-Backbone interact. energy: -0.663
local terms energy: -276.450012
where:
bonds (distance) C4'-P energy: -36.108
bonds (distance) P-C4' energy: -49.381
flat angles C4'-P-C4' energy: -61.380
flat angles P-C4'-P energy: -46.580
tors. eta vs tors. theta energy: -83.001
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: 10
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -897.086403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.086403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.086403 (E_RNA)
where:
Base-Base interactions energy: -614.623
where: short stacking energy: -262.589
Base-Backbone interact. energy: -2.149
local terms energy: -280.313541
where:
bonds (distance) C4'-P energy: -54.299
bonds (distance) P-C4' energy: -55.529
flat angles C4'-P-C4' energy: -56.214
flat angles P-C4'-P energy: -37.980
tors. eta vs tors. theta energy: -76.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -848.615659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.615659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.615659 (E_RNA)
where:
Base-Base interactions energy: -589.415
where: short stacking energy: -251.713
Base-Backbone interact. energy: -0.390
local terms energy: -258.810550
where:
bonds (distance) C4'-P energy: -48.553
bonds (distance) P-C4' energy: -46.113
flat angles C4'-P-C4' energy: -59.237
flat angles P-C4'-P energy: -27.995
tors. eta vs tors. theta energy: -76.912
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: 369
Temperature: 1.100000
Total energy: -816.338167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.338167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.338167 (E_RNA)
where:
Base-Base interactions energy: -553.019
where: short stacking energy: -229.185
Base-Backbone interact. energy: -1.108
local terms energy: -262.210877
where:
bonds (distance) C4'-P energy: -44.763
bonds (distance) P-C4' energy: -50.798
flat angles C4'-P-C4' energy: -59.039
flat angles P-C4'-P energy: -32.344
tors. eta vs tors. theta energy: -75.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -785.640280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.640280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.640280 (E_RNA)
where:
Base-Base interactions energy: -547.657
where: short stacking energy: -215.893
Base-Backbone interact. energy: -1.240
local terms energy: -236.743543
where:
bonds (distance) C4'-P energy: -45.575
bonds (distance) P-C4' energy: -52.848
flat angles C4'-P-C4' energy: -48.913
flat angles P-C4'-P energy: -31.660
tors. eta vs tors. theta energy: -57.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -720.686960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.686960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.686960 (E_RNA)
where:
Base-Base interactions energy: -479.915
where: short stacking energy: -189.782
Base-Backbone interact. energy: -0.601
local terms energy: -240.171240
where:
bonds (distance) C4'-P energy: -47.494
bonds (distance) P-C4' energy: -53.750
flat angles C4'-P-C4' energy: -51.337
flat angles P-C4'-P energy: -40.501
tors. eta vs tors. theta energy: -47.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -718.991470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.991470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.991470 (E_RNA)
where:
Base-Base interactions energy: -487.087
where: short stacking energy: -178.534
Base-Backbone interact. energy: -0.665
local terms energy: -231.239641
where:
bonds (distance) C4'-P energy: -46.206
bonds (distance) P-C4' energy: -53.618
flat angles C4'-P-C4' energy: -44.862
flat angles P-C4'-P energy: -36.996
tors. eta vs tors. theta energy: -49.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -454.134236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.134236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.134236 (E_RNA)
where:
Base-Base interactions energy: -259.947
where: short stacking energy: -111.241
Base-Backbone interact. energy: -2.032
local terms energy: -192.154861
where:
bonds (distance) C4'-P energy: -36.185
bonds (distance) P-C4' energy: -52.009
flat angles C4'-P-C4' energy: -51.985
flat angles P-C4'-P energy: -22.143
tors. eta vs tors. theta energy: -29.834
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: 6
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -224.936577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.936577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.936577 (E_RNA)
where:
Base-Base interactions energy: -84.640
where: short stacking energy: -76.169
Base-Backbone interact. energy: -0.117
local terms energy: -140.179329
where:
bonds (distance) C4'-P energy: -47.309
bonds (distance) P-C4' energy: -37.337
flat angles C4'-P-C4' energy: -38.685
flat angles P-C4'-P energy: -15.797
tors. eta vs tors. theta energy: -1.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -960.453895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.453895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.453895 (E_RNA)
where:
Base-Base interactions energy: -668.634
where: short stacking energy: -277.544
Base-Backbone interact. energy: -1.538
local terms energy: -290.282226
where:
bonds (distance) C4'-P energy: -58.637
bonds (distance) P-C4' energy: -54.155
flat angles C4'-P-C4' energy: -52.618
flat angles P-C4'-P energy: -39.108
tors. eta vs tors. theta energy: -85.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -922.883720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.883720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.883720 (E_RNA)
where:
Base-Base interactions energy: -648.948
where: short stacking energy: -265.892
Base-Backbone interact. energy: -2.094
local terms energy: -271.841994
where:
bonds (distance) C4'-P energy: -47.923
bonds (distance) P-C4' energy: -55.123
flat angles C4'-P-C4' energy: -53.394
flat angles P-C4'-P energy: -38.778
tors. eta vs tors. theta energy: -76.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -913.577237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.577237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.577237 (E_RNA)
where:
Base-Base interactions energy: -644.368
where: short stacking energy: -272.411
Base-Backbone interact. energy: 0.679
local terms energy: -269.887454
where:
bonds (distance) C4'-P energy: -50.550
bonds (distance) P-C4' energy: -35.177
flat angles C4'-P-C4' energy: -59.543
flat angles P-C4'-P energy: -38.241
tors. eta vs tors. theta energy: -86.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -853.518050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.518050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.518050 (E_RNA)
where:
Base-Base interactions energy: -573.014
where: short stacking energy: -238.147
Base-Backbone interact. energy: 1.259
local terms energy: -281.762595
where:
bonds (distance) C4'-P energy: -57.689
bonds (distance) P-C4' energy: -50.936
flat angles C4'-P-C4' energy: -57.133
flat angles P-C4'-P energy: -42.898
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: 4
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -805.107964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.107964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.107964 (E_RNA)
where:
Base-Base interactions energy: -558.401
where: short stacking energy: -232.404
Base-Backbone interact. energy: -1.483
local terms energy: -245.223568
where:
bonds (distance) C4'-P energy: -43.484
bonds (distance) P-C4' energy: -47.514
flat angles C4'-P-C4' energy: -52.112
flat angles P-C4'-P energy: -35.745
tors. eta vs tors. theta energy: -66.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -785.130977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.130977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.130977 (E_RNA)
where:
Base-Base interactions energy: -556.500
where: short stacking energy: -229.667
Base-Backbone interact. energy: 2.944
local terms energy: -231.575452
where:
bonds (distance) C4'-P energy: -42.686
bonds (distance) P-C4' energy: -37.447
flat angles C4'-P-C4' energy: -53.838
flat angles P-C4'-P energy: -32.338
tors. eta vs tors. theta energy: -65.266
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: 5
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -773.455294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.455294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.455294 (E_RNA)
where:
Base-Base interactions energy: -558.735
where: short stacking energy: -216.466
Base-Backbone interact. energy: 2.778
local terms energy: -217.498597
where:
bonds (distance) C4'-P energy: -31.520
bonds (distance) P-C4' energy: -45.458
flat angles C4'-P-C4' energy: -53.103
flat angles P-C4'-P energy: -31.824
tors. eta vs tors. theta energy: -55.594
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: 8, replica: 3
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -690.455685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.455685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.455685 (E_RNA)
where:
Base-Base interactions energy: -482.420
where: short stacking energy: -205.261
Base-Backbone interact. energy: -0.195
local terms energy: -207.840108
where:
bonds (distance) C4'-P energy: -44.297
bonds (distance) P-C4' energy: -44.578
flat angles C4'-P-C4' energy: -45.759
flat angles P-C4'-P energy: -30.663
tors. eta vs tors. theta energy: -42.543
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: 370
Temperature: 1.300000
Total energy: -421.450015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.450015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.450015 (E_RNA)
where:
Base-Base interactions energy: -263.381
where: short stacking energy: -124.209
Base-Backbone interact. energy: -0.780
local terms energy: -157.289380
where:
bonds (distance) C4'-P energy: -30.561
bonds (distance) P-C4' energy: -37.860
flat angles C4'-P-C4' energy: -43.020
flat angles P-C4'-P energy: -23.690
tors. eta vs tors. theta energy: -22.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -219.740662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.740662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.740662 (E_RNA)
where:
Base-Base interactions energy: -66.213
where: short stacking energy: -58.604
Base-Backbone interact. energy: -0.711
local terms energy: -152.816957
where:
bonds (distance) C4'-P energy: -41.233
bonds (distance) P-C4' energy: -40.294
flat angles C4'-P-C4' energy: -43.894
flat angles P-C4'-P energy: -27.185
tors. eta vs tors. theta energy: -0.211
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: 1
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -961.613948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.613948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.613948 (E_RNA)
where:
Base-Base interactions energy: -669.603
where: short stacking energy: -290.651
Base-Backbone interact. energy: -1.128
local terms energy: -290.883226
where:
bonds (distance) C4'-P energy: -57.359
bonds (distance) P-C4' energy: -45.005
flat angles C4'-P-C4' energy: -56.117
flat angles P-C4'-P energy: -43.030
tors. eta vs tors. theta energy: -89.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -931.898675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.898675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.898675 (E_RNA)
where:
Base-Base interactions energy: -649.031
where: short stacking energy: -278.641
Base-Backbone interact. energy: -0.319
local terms energy: -282.548820
where:
bonds (distance) C4'-P energy: -47.565
bonds (distance) P-C4' energy: -52.012
flat angles C4'-P-C4' energy: -62.879
flat angles P-C4'-P energy: -39.278
tors. eta vs tors. theta energy: -80.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -920.813191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.813191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.813191 (E_RNA)
where:
Base-Base interactions energy: -639.262
where: short stacking energy: -266.022
Base-Backbone interact. energy: -1.283
local terms energy: -280.268950
where:
bonds (distance) C4'-P energy: -48.935
bonds (distance) P-C4' energy: -54.234
flat angles C4'-P-C4' energy: -61.280
flat angles P-C4'-P energy: -35.439
tors. eta vs tors. theta energy: -80.380
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: 4, replica: 8
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -856.553377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.553377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.553377 (E_RNA)
where:
Base-Base interactions energy: -595.657
where: short stacking energy: -259.227
Base-Backbone interact. energy: -0.720
local terms energy: -260.177126
where:
bonds (distance) C4'-P energy: -40.804
bonds (distance) P-C4' energy: -52.805
flat angles C4'-P-C4' energy: -55.486
flat angles P-C4'-P energy: -40.897
tors. eta vs tors. theta energy: -70.185
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: 4
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -828.015736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.015736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.015736 (E_RNA)
where:
Base-Base interactions energy: -584.277
where: short stacking energy: -257.608
Base-Backbone interact. energy: -0.890
local terms energy: -242.849461
where:
bonds (distance) C4'-P energy: -42.090
bonds (distance) P-C4' energy: -47.888
flat angles C4'-P-C4' energy: -55.517
flat angles P-C4'-P energy: -27.006
tors. eta vs tors. theta energy: -70.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -771.313778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.313778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.313778 (E_RNA)
where:
Base-Base interactions energy: -531.572
where: short stacking energy: -202.244
Base-Backbone interact. energy: -1.616
local terms energy: -238.125649
where:
bonds (distance) C4'-P energy: -50.884
bonds (distance) P-C4' energy: -42.838
flat angles C4'-P-C4' energy: -51.748
flat angles P-C4'-P energy: -30.948
tors. eta vs tors. theta energy: -61.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -769.425719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.425719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.425719 (E_RNA)
where:
Base-Base interactions energy: -527.458
where: short stacking energy: -221.760
Base-Backbone interact. energy: -0.366
local terms energy: -241.602106
where:
bonds (distance) C4'-P energy: -44.274
bonds (distance) P-C4' energy: -51.055
flat angles C4'-P-C4' energy: -56.013
flat angles P-C4'-P energy: -34.396
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: 8, replica: 3
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -676.184307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.184307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.184307 (E_RNA)
where:
Base-Base interactions energy: -472.950
where: short stacking energy: -191.020
Base-Backbone interact. energy: 0.789
local terms energy: -204.023708
where:
bonds (distance) C4'-P energy: -42.923
bonds (distance) P-C4' energy: -40.714
flat angles C4'-P-C4' energy: -44.582
flat angles P-C4'-P energy: -28.189
tors. eta vs tors. theta energy: -47.616
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: 9
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -454.739002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.739002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.739002 (E_RNA)
where:
Base-Base interactions energy: -264.013
where: short stacking energy: -125.789
Base-Backbone interact. energy: -0.532
local terms energy: -190.194136
where:
bonds (distance) C4'-P energy: -46.112
bonds (distance) P-C4' energy: -45.672
flat angles C4'-P-C4' energy: -44.749
flat angles P-C4'-P energy: -30.275
tors. eta vs tors. theta energy: -23.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -237.566212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.566212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.566212 (E_RNA)
where:
Base-Base interactions energy: -81.687
where: short stacking energy: -79.008
Base-Backbone interact. energy: -0.517
local terms energy: -155.362389
where:
bonds (distance) C4'-P energy: -39.991
bonds (distance) P-C4' energy: -47.947
flat angles C4'-P-C4' energy: -43.489
flat angles P-C4'-P energy: -27.888
tors. eta vs tors. theta energy: 3.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -962.374660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.374660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.374660 (E_RNA)
where:
Base-Base interactions energy: -662.864
where: short stacking energy: -284.664
Base-Backbone interact. energy: -0.044
local terms energy: -299.467012
where:
bonds (distance) C4'-P energy: -54.621
bonds (distance) P-C4' energy: -55.146
flat angles C4'-P-C4' energy: -57.963
flat angles P-C4'-P energy: -44.151
tors. eta vs tors. theta energy: -87.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -924.471399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.471399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.471399 (E_RNA)
where:
Base-Base interactions energy: -629.288
where: short stacking energy: -247.544
Base-Backbone interact. energy: -1.025
local terms energy: -294.158565
where:
bonds (distance) C4'-P energy: -51.271
bonds (distance) P-C4' energy: -51.440
flat angles C4'-P-C4' energy: -64.412
flat angles P-C4'-P energy: -41.704
tors. eta vs tors. theta energy: -85.332
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: 8
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -873.476144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.476144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.476144 (E_RNA)
where:
Base-Base interactions energy: -582.122
where: short stacking energy: -258.138
Base-Backbone interact. energy: -0.123
local terms energy: -291.230368
where:
bonds (distance) C4'-P energy: -57.429
bonds (distance) P-C4' energy: -59.453
flat angles C4'-P-C4' energy: -56.355
flat angles P-C4'-P energy: -38.367
tors. eta vs tors. theta energy: -79.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -899.720030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.720030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.720030 (E_RNA)
where:
Base-Base interactions energy: -624.974
where: short stacking energy: -267.920
Base-Backbone interact. energy: -0.716
local terms energy: -274.029622
where:
bonds (distance) C4'-P energy: -46.268
bonds (distance) P-C4' energy: -52.569
flat angles C4'-P-C4' energy: -47.716
flat angles P-C4'-P energy: -40.753
tors. eta vs tors. theta energy: -86.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -846.470572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.470572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.470572 (E_RNA)
where:
Base-Base interactions energy: -578.255
where: short stacking energy: -248.395
Base-Backbone interact. energy: -0.603
local terms energy: -267.613067
where:
bonds (distance) C4'-P energy: -48.310
bonds (distance) P-C4' energy: -55.343
flat angles C4'-P-C4' energy: -59.895
flat angles P-C4'-P energy: -31.077
tors. eta vs tors. theta energy: -72.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -751.899359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.899359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.899359 (E_RNA)
where:
Base-Base interactions energy: -525.260
where: short stacking energy: -213.336
Base-Backbone interact. energy: 1.992
local terms energy: -228.631527
where:
bonds (distance) C4'-P energy: -53.346
bonds (distance) P-C4' energy: -45.436
flat angles C4'-P-C4' energy: -50.702
flat angles P-C4'-P energy: -29.767
tors. eta vs tors. theta energy: -49.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -760.570216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.570216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.570216 (E_RNA)
where:
Base-Base interactions energy: -547.870
where: short stacking energy: -219.062
Base-Backbone interact. energy: -1.669
local terms energy: -211.031210
where:
bonds (distance) C4'-P energy: -34.131
bonds (distance) P-C4' energy: -50.004
flat angles C4'-P-C4' energy: -47.850
flat angles P-C4'-P energy: -32.660
tors. eta vs tors. theta energy: -46.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -697.739913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.739913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.739913 (E_RNA)
where:
Base-Base interactions energy: -481.013
where: short stacking energy: -198.262
Base-Backbone interact. energy: -0.544
local terms energy: -216.182894
where:
bonds (distance) C4'-P energy: -52.914
bonds (distance) P-C4' energy: -38.984
flat angles C4'-P-C4' energy: -44.845
flat angles P-C4'-P energy: -26.793
tors. eta vs tors. theta energy: -52.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -436.432842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.432842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.432842 (E_RNA)
where:
Base-Base interactions energy: -264.369
where: short stacking energy: -129.552
Base-Backbone interact. energy: -2.107
local terms energy: -169.956805
where:
bonds (distance) C4'-P energy: -38.746
bonds (distance) P-C4' energy: -41.492
flat angles C4'-P-C4' energy: -37.577
flat angles P-C4'-P energy: -22.449
tors. eta vs tors. theta energy: -29.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -229.009662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.009662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.009662 (E_RNA)
where:
Base-Base interactions energy: -87.632
where: short stacking energy: -74.299
Base-Backbone interact. energy: 2.883
local terms energy: -144.260667
where:
bonds (distance) C4'-P energy: -48.668
bonds (distance) P-C4' energy: -46.971
flat angles C4'-P-C4' energy: -31.325
flat angles P-C4'-P energy: -27.134
tors. eta vs tors. theta energy: 9.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -963.427000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.427000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.427000 (E_RNA)
where:
Base-Base interactions energy: -664.049
where: short stacking energy: -291.261
Base-Backbone interact. energy: -1.023
local terms energy: -298.354077
where:
bonds (distance) C4'-P energy: -55.544
bonds (distance) P-C4' energy: -49.962
flat angles C4'-P-C4' energy: -58.133
flat angles P-C4'-P energy: -41.126
tors. eta vs tors. theta energy: -93.589
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: 373
Temperature: 0.950000
Total energy: -922.758875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.758875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.758875 (E_RNA)
where:
Base-Base interactions energy: -638.246
where: short stacking energy: -286.447
Base-Backbone interact. energy: -0.816
local terms energy: -283.696194
where:
bonds (distance) C4'-P energy: -51.212
bonds (distance) P-C4' energy: -48.343
flat angles C4'-P-C4' energy: -57.530
flat angles P-C4'-P energy: -41.107
tors. eta vs tors. theta energy: -85.504
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: 8
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -861.041263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.041263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.041263 (E_RNA)
where:
Base-Base interactions energy: -587.001
where: short stacking energy: -246.875
Base-Backbone interact. energy: -0.262
local terms energy: -273.778191
where:
bonds (distance) C4'-P energy: -48.700
bonds (distance) P-C4' energy: -60.559
flat angles C4'-P-C4' energy: -60.517
flat angles P-C4'-P energy: -33.879
tors. eta vs tors. theta energy: -70.123
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: 10
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -876.662992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.662992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.662992 (E_RNA)
where:
Base-Base interactions energy: -624.246
where: short stacking energy: -242.209
Base-Backbone interact. energy: -0.736
local terms energy: -251.680443
where:
bonds (distance) C4'-P energy: -50.324
bonds (distance) P-C4' energy: -50.107
flat angles C4'-P-C4' energy: -51.129
flat angles P-C4'-P energy: -25.667
tors. eta vs tors. theta energy: -74.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -825.908593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.908593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.908593 (E_RNA)
where:
Base-Base interactions energy: -570.680
where: short stacking energy: -228.861
Base-Backbone interact. energy: -1.261
local terms energy: -253.966891
where:
bonds (distance) C4'-P energy: -42.143
bonds (distance) P-C4' energy: -54.786
flat angles C4'-P-C4' energy: -56.925
flat angles P-C4'-P energy: -27.587
tors. eta vs tors. theta energy: -72.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -798.498392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.498392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.498392 (E_RNA)
where:
Base-Base interactions energy: -553.230
where: short stacking energy: -224.960
Base-Backbone interact. energy: -2.076
local terms energy: -243.192812
where:
bonds (distance) C4'-P energy: -44.212
bonds (distance) P-C4' energy: -43.459
flat angles C4'-P-C4' energy: -63.190
flat angles P-C4'-P energy: -28.136
tors. eta vs tors. theta energy: -64.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -739.970776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.970776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.970776 (E_RNA)
where:
Base-Base interactions energy: -505.854
where: short stacking energy: -218.634
Base-Backbone interact. energy: -1.209
local terms energy: -232.907535
where:
bonds (distance) C4'-P energy: -49.059
bonds (distance) P-C4' energy: -45.192
flat angles C4'-P-C4' energy: -42.500
flat angles P-C4'-P energy: -38.437
tors. eta vs tors. theta energy: -57.720
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: 8, replica: 3
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -677.166010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.166010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.166010 (E_RNA)
where:
Base-Base interactions energy: -456.290
where: short stacking energy: -185.770
Base-Backbone interact. energy: 2.637
local terms energy: -223.513043
where:
bonds (distance) C4'-P energy: -48.358
bonds (distance) P-C4' energy: -44.245
flat angles C4'-P-C4' energy: -47.417
flat angles P-C4'-P energy: -35.354
tors. eta vs tors. theta energy: -48.139
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: 9
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -406.021163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.021163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.021163 (E_RNA)
where:
Base-Base interactions energy: -234.905
where: short stacking energy: -120.410
Base-Backbone interact. energy: -1.770
local terms energy: -169.346385
where:
bonds (distance) C4'-P energy: -47.748
bonds (distance) P-C4' energy: -44.141
flat angles C4'-P-C4' energy: -38.274
flat angles P-C4'-P energy: -31.664
tors. eta vs tors. theta energy: -7.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -214.927751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.927751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.927751 (E_RNA)
where:
Base-Base interactions energy: -54.156
where: short stacking energy: -51.294
Base-Backbone interact. energy: -1.395
local terms energy: -159.376690
where:
bonds (distance) C4'-P energy: -48.029
bonds (distance) P-C4' energy: -45.258
flat angles C4'-P-C4' energy: -36.008
flat angles P-C4'-P energy: -32.800
tors. eta vs tors. theta energy: 2.717
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: 1
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -963.848767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.848767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.848767 (E_RNA)
where:
Base-Base interactions energy: -655.954
where: short stacking energy: -290.408
Base-Backbone interact. energy: -1.265
local terms energy: -306.629597
where:
bonds (distance) C4'-P energy: -57.901
bonds (distance) P-C4' energy: -54.603
flat angles C4'-P-C4' energy: -62.197
flat angles P-C4'-P energy: -40.084
tors. eta vs tors. theta energy: -91.845
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: 2
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -927.869577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.869577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.869577 (E_RNA)
where:
Base-Base interactions energy: -647.127
where: short stacking energy: -272.848
Base-Backbone interact. energy: -1.808
local terms energy: -278.934649
where:
bonds (distance) C4'-P energy: -50.178
bonds (distance) P-C4' energy: -47.371
flat angles C4'-P-C4' energy: -58.010
flat angles P-C4'-P energy: -39.776
tors. eta vs tors. theta energy: -83.599
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: 10
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -871.438459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.438459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.438459 (E_RNA)
where:
Base-Base interactions energy: -597.893
where: short stacking energy: -236.524
Base-Backbone interact. energy: -0.710
local terms energy: -272.836077
where:
bonds (distance) C4'-P energy: -48.458
bonds (distance) P-C4' energy: -44.327
flat angles C4'-P-C4' energy: -59.482
flat angles P-C4'-P energy: -47.361
tors. eta vs tors. theta energy: -73.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -840.572514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.572514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.572514 (E_RNA)
where:
Base-Base interactions energy: -579.412
where: short stacking energy: -241.717
Base-Backbone interact. energy: -2.663
local terms energy: -258.497702
where:
bonds (distance) C4'-P energy: -40.305
bonds (distance) P-C4' energy: -53.350
flat angles C4'-P-C4' energy: -58.684
flat angles P-C4'-P energy: -32.960
tors. eta vs tors. theta energy: -73.198
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: 5
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -806.180338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.180338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.180338 (E_RNA)
where:
Base-Base interactions energy: -551.602
where: short stacking energy: -222.189
Base-Backbone interact. energy: -1.951
local terms energy: -252.627511
where:
bonds (distance) C4'-P energy: -47.740
bonds (distance) P-C4' energy: -55.695
flat angles C4'-P-C4' energy: -58.785
flat angles P-C4'-P energy: -35.567
tors. eta vs tors. theta energy: -54.841
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: 4
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -792.811070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.811070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.811070 (E_RNA)
where:
Base-Base interactions energy: -551.448
where: short stacking energy: -223.820
Base-Backbone interact. energy: 0.636
local terms energy: -241.999386
where:
bonds (distance) C4'-P energy: -45.153
bonds (distance) P-C4' energy: -56.359
flat angles C4'-P-C4' energy: -47.229
flat angles P-C4'-P energy: -30.871
tors. eta vs tors. theta energy: -62.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -754.028336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.028336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.028336 (E_RNA)
where:
Base-Base interactions energy: -529.813
where: short stacking energy: -213.524
Base-Backbone interact. energy: -0.257
local terms energy: -223.958223
where:
bonds (distance) C4'-P energy: -37.914
bonds (distance) P-C4' energy: -51.185
flat angles C4'-P-C4' energy: -40.519
flat angles P-C4'-P energy: -35.543
tors. eta vs tors. theta energy: -58.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -651.110752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.110752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.110752 (E_RNA)
where:
Base-Base interactions energy: -454.930
where: short stacking energy: -182.946
Base-Backbone interact. energy: -0.516
local terms energy: -195.665265
where:
bonds (distance) C4'-P energy: -31.450
bonds (distance) P-C4' energy: -42.107
flat angles C4'-P-C4' energy: -47.575
flat angles P-C4'-P energy: -30.768
tors. eta vs tors. theta energy: -43.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -402.063827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.063827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.063827 (E_RNA)
where:
Base-Base interactions energy: -229.414
where: short stacking energy: -118.974
Base-Backbone interact. energy: -1.482
local terms energy: -171.167173
where:
bonds (distance) C4'-P energy: -34.525
bonds (distance) P-C4' energy: -46.239
flat angles C4'-P-C4' energy: -45.062
flat angles P-C4'-P energy: -29.397
tors. eta vs tors. theta energy: -15.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -214.173915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.173915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.173915 (E_RNA)
where:
Base-Base interactions energy: -62.347
where: short stacking energy: -60.524
Base-Backbone interact. energy: -1.273
local terms energy: -150.553718
where:
bonds (distance) C4'-P energy: -49.017
bonds (distance) P-C4' energy: -52.461
flat angles C4'-P-C4' energy: -45.257
flat angles P-C4'-P energy: -12.927
tors. eta vs tors. theta energy: 9.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -972.260820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.260820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.260820 (E_RNA)
where:
Base-Base interactions energy: -669.793
where: short stacking energy: -286.705
Base-Backbone interact. energy: -1.818
local terms energy: -300.649821
where:
bonds (distance) C4'-P energy: -53.552
bonds (distance) P-C4' energy: -56.484
flat angles C4'-P-C4' energy: -58.762
flat angles P-C4'-P energy: -43.107
tors. eta vs tors. theta energy: -88.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -922.252960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.252960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.252960 (E_RNA)
where:
Base-Base interactions energy: -635.029
where: short stacking energy: -284.639
Base-Backbone interact. energy: -1.882
local terms energy: -285.341879
where:
bonds (distance) C4'-P energy: -42.870
bonds (distance) P-C4' energy: -51.833
flat angles C4'-P-C4' energy: -58.390
flat angles P-C4'-P energy: -45.997
tors. eta vs tors. theta energy: -86.251
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: 10
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -899.552391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.552391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.552391 (E_RNA)
where:
Base-Base interactions energy: -621.939
where: short stacking energy: -263.541
Base-Backbone interact. energy: -1.569
local terms energy: -276.044548
where:
bonds (distance) C4'-P energy: -45.682
bonds (distance) P-C4' energy: -52.652
flat angles C4'-P-C4' energy: -54.165
flat angles P-C4'-P energy: -44.927
tors. eta vs tors. theta energy: -78.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -850.228049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.228049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.228049 (E_RNA)
where:
Base-Base interactions energy: -582.783
where: short stacking energy: -247.170
Base-Backbone interact. energy: -0.580
local terms energy: -266.864811
where:
bonds (distance) C4'-P energy: -48.484
bonds (distance) P-C4' energy: -49.771
flat angles C4'-P-C4' energy: -46.787
flat angles P-C4'-P energy: -45.164
tors. eta vs tors. theta energy: -76.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -782.007723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.007723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.007723 (E_RNA)
where:
Base-Base interactions energy: -541.693
where: short stacking energy: -211.158
Base-Backbone interact. energy: -0.807
local terms energy: -239.507878
where:
bonds (distance) C4'-P energy: -41.024
bonds (distance) P-C4' energy: -54.109
flat angles C4'-P-C4' energy: -50.635
flat angles P-C4'-P energy: -32.779
tors. eta vs tors. theta energy: -60.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -783.545649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.545649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.545649 (E_RNA)
where:
Base-Base interactions energy: -534.283
where: short stacking energy: -210.533
Base-Backbone interact. energy: -1.168
local terms energy: -248.095204
where:
bonds (distance) C4'-P energy: -52.974
bonds (distance) P-C4' energy: -48.593
flat angles C4'-P-C4' energy: -48.700
flat angles P-C4'-P energy: -39.642
tors. eta vs tors. theta energy: -58.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -770.476188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.476188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.476188 (E_RNA)
where:
Base-Base interactions energy: -527.007
where: short stacking energy: -214.947
Base-Backbone interact. energy: 2.627
local terms energy: -246.096563
where:
bonds (distance) C4'-P energy: -46.314
bonds (distance) P-C4' energy: -49.313
flat angles C4'-P-C4' energy: -57.694
flat angles P-C4'-P energy: -37.303
tors. eta vs tors. theta energy: -55.473
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: 3
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -649.846840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.846840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.846840 (E_RNA)
where:
Base-Base interactions energy: -441.942
where: short stacking energy: -178.258
Base-Backbone interact. energy: -0.587
local terms energy: -207.318586
where:
bonds (distance) C4'-P energy: -49.061
bonds (distance) P-C4' energy: -32.246
flat angles C4'-P-C4' energy: -40.247
flat angles P-C4'-P energy: -44.965
tors. eta vs tors. theta energy: -40.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -386.034392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.034392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.034392 (E_RNA)
where:
Base-Base interactions energy: -219.002
where: short stacking energy: -97.323
Base-Backbone interact. energy: -1.034
local terms energy: -165.998571
where:
bonds (distance) C4'-P energy: -47.362
bonds (distance) P-C4' energy: -42.042
flat angles C4'-P-C4' energy: -46.449
flat angles P-C4'-P energy: -18.132
tors. eta vs tors. theta energy: -12.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -257.652467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.652467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.652467 (E_RNA)
where:
Base-Base interactions energy: -102.018
where: short stacking energy: -72.720
Base-Backbone interact. energy: -0.540
local terms energy: -155.094876
where:
bonds (distance) C4'-P energy: -51.141
bonds (distance) P-C4' energy: -49.629
flat angles C4'-P-C4' energy: -41.053
flat angles P-C4'-P energy: -14.164
tors. eta vs tors. theta energy: 0.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -954.848408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.848408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.848408 (E_RNA)
where:
Base-Base interactions energy: -657.877
where: short stacking energy: -291.354
Base-Backbone interact. energy: -0.352
local terms energy: -296.619395
where:
bonds (distance) C4'-P energy: -41.237
bonds (distance) P-C4' energy: -53.437
flat angles C4'-P-C4' energy: -66.820
flat angles P-C4'-P energy: -47.140
tors. eta vs tors. theta energy: -87.986
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: 376
Temperature: 0.950000
Total energy: -927.832943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.832943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.832943 (E_RNA)
where:
Base-Base interactions energy: -648.410
where: short stacking energy: -281.119
Base-Backbone interact. energy: -0.352
local terms energy: -279.070687
where:
bonds (distance) C4'-P energy: -48.045
bonds (distance) P-C4' energy: -48.748
flat angles C4'-P-C4' energy: -59.212
flat angles P-C4'-P energy: -41.578
tors. eta vs tors. theta energy: -81.488
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: 10
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -896.030163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.030163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.030163 (E_RNA)
where:
Base-Base interactions energy: -629.948
where: short stacking energy: -249.558
Base-Backbone interact. energy: -0.583
local terms energy: -265.499681
where:
bonds (distance) C4'-P energy: -57.753
bonds (distance) P-C4' energy: -50.267
flat angles C4'-P-C4' energy: -51.935
flat angles P-C4'-P energy: -31.376
tors. eta vs tors. theta energy: -74.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -844.878548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.878548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.878548 (E_RNA)
where:
Base-Base interactions energy: -585.600
where: short stacking energy: -251.568
Base-Backbone interact. energy: -1.215
local terms energy: -258.062913
where:
bonds (distance) C4'-P energy: -48.580
bonds (distance) P-C4' energy: -46.774
flat angles C4'-P-C4' energy: -58.362
flat angles P-C4'-P energy: -32.418
tors. eta vs tors. theta energy: -71.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -772.560756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.560756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.560756 (E_RNA)
where:
Base-Base interactions energy: -527.048
where: short stacking energy: -202.097
Base-Backbone interact. energy: 0.512
local terms energy: -246.024637
where:
bonds (distance) C4'-P energy: -49.068
bonds (distance) P-C4' energy: -48.834
flat angles C4'-P-C4' energy: -46.025
flat angles P-C4'-P energy: -46.650
tors. eta vs tors. theta energy: -55.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -778.041831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.041831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.041831 (E_RNA)
where:
Base-Base interactions energy: -531.409
where: short stacking energy: -228.052
Base-Backbone interact. energy: -0.953
local terms energy: -245.680002
where:
bonds (distance) C4'-P energy: -46.092
bonds (distance) P-C4' energy: -50.056
flat angles C4'-P-C4' energy: -49.559
flat angles P-C4'-P energy: -39.618
tors. eta vs tors. theta energy: -60.355
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: 7, replica: 4
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -758.269400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.269400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.269400 (E_RNA)
where:
Base-Base interactions energy: -521.663
where: short stacking energy: -204.085
Base-Backbone interact. energy: -0.752
local terms energy: -235.854459
where:
bonds (distance) C4'-P energy: -46.554
bonds (distance) P-C4' energy: -43.505
flat angles C4'-P-C4' energy: -49.154
flat angles P-C4'-P energy: -35.515
tors. eta vs tors. theta energy: -61.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -608.139428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.139428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.139428 (E_RNA)
where:
Base-Base interactions energy: -399.883
where: short stacking energy: -170.866
Base-Backbone interact. energy: -1.586
local terms energy: -206.670116
where:
bonds (distance) C4'-P energy: -33.366
bonds (distance) P-C4' energy: -44.188
flat angles C4'-P-C4' energy: -42.913
flat angles P-C4'-P energy: -38.556
tors. eta vs tors. theta energy: -47.648
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: 376
Temperature: 1.300000
Total energy: -394.476505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.476505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.476505 (E_RNA)
where:
Base-Base interactions energy: -218.489
where: short stacking energy: -113.491
Base-Backbone interact. energy: -1.150
local terms energy: -174.838222
where:
bonds (distance) C4'-P energy: -48.591
bonds (distance) P-C4' energy: -42.888
flat angles C4'-P-C4' energy: -45.137
flat angles P-C4'-P energy: -21.131
tors. eta vs tors. theta energy: -17.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -224.585787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.585787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.585787 (E_RNA)
where:
Base-Base interactions energy: -89.051
where: short stacking energy: -63.935
Base-Backbone interact. energy: -0.052
local terms energy: -135.483093
where:
bonds (distance) C4'-P energy: -44.266
bonds (distance) P-C4' energy: -49.894
flat angles C4'-P-C4' energy: -39.515
flat angles P-C4'-P energy: -19.332
tors. eta vs tors. theta energy: 17.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -962.275671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.275671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.275671 (E_RNA)
where:
Base-Base interactions energy: -664.264
where: short stacking energy: -284.067
Base-Backbone interact. energy: -1.533
local terms energy: -296.478575
where:
bonds (distance) C4'-P energy: -54.101
bonds (distance) P-C4' energy: -52.568
flat angles C4'-P-C4' energy: -63.958
flat angles P-C4'-P energy: -39.729
tors. eta vs tors. theta energy: -86.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -914.107422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.107422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.107422 (E_RNA)
where:
Base-Base interactions energy: -626.559
where: short stacking energy: -263.417
Base-Backbone interact. energy: -0.564
local terms energy: -286.983686
where:
bonds (distance) C4'-P energy: -55.019
bonds (distance) P-C4' energy: -57.179
flat angles C4'-P-C4' energy: -60.388
flat angles P-C4'-P energy: -40.844
tors. eta vs tors. theta energy: -73.554
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: 3, replica: 10
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -905.519164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.519164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.519164 (E_RNA)
where:
Base-Base interactions energy: -620.765
where: short stacking energy: -261.127
Base-Backbone interact. energy: -0.861
local terms energy: -283.892820
where:
bonds (distance) C4'-P energy: -52.322
bonds (distance) P-C4' energy: -51.529
flat angles C4'-P-C4' energy: -59.298
flat angles P-C4'-P energy: -41.839
tors. eta vs tors. theta energy: -78.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -860.334953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.334953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.334953 (E_RNA)
where:
Base-Base interactions energy: -598.879
where: short stacking energy: -249.364
Base-Backbone interact. energy: 0.553
local terms energy: -262.009123
where:
bonds (distance) C4'-P energy: -51.670
bonds (distance) P-C4' energy: -49.841
flat angles C4'-P-C4' energy: -54.170
flat angles P-C4'-P energy: -31.670
tors. eta vs tors. theta energy: -74.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -763.990755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.990755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.990755 (E_RNA)
where:
Base-Base interactions energy: -533.227
where: short stacking energy: -211.775
Base-Backbone interact. energy: -0.315
local terms energy: -230.448070
where:
bonds (distance) C4'-P energy: -43.330
bonds (distance) P-C4' energy: -55.833
flat angles C4'-P-C4' energy: -43.032
flat angles P-C4'-P energy: -33.971
tors. eta vs tors. theta energy: -54.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -795.929703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.929703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.929703 (E_RNA)
where:
Base-Base interactions energy: -560.240
where: short stacking energy: -242.507
Base-Backbone interact. energy: -1.083
local terms energy: -234.606977
where:
bonds (distance) C4'-P energy: -50.153
bonds (distance) P-C4' energy: -44.543
flat angles C4'-P-C4' energy: -48.400
flat angles P-C4'-P energy: -25.355
tors. eta vs tors. theta energy: -66.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -748.280150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.280150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.280150 (E_RNA)
where:
Base-Base interactions energy: -525.390
where: short stacking energy: -219.770
Base-Backbone interact. energy: 0.270
local terms energy: -223.159543
where:
bonds (distance) C4'-P energy: -39.429
bonds (distance) P-C4' energy: -45.493
flat angles C4'-P-C4' energy: -49.815
flat angles P-C4'-P energy: -28.201
tors. eta vs tors. theta energy: -60.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -648.061737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.061737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.061737 (E_RNA)
where:
Base-Base interactions energy: -442.993
where: short stacking energy: -186.795
Base-Backbone interact. energy: -1.631
local terms energy: -203.438294
where:
bonds (distance) C4'-P energy: -40.297
bonds (distance) P-C4' energy: -41.801
flat angles C4'-P-C4' energy: -38.230
flat angles P-C4'-P energy: -29.357
tors. eta vs tors. theta energy: -53.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -385.846539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.846539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.846539 (E_RNA)
where:
Base-Base interactions energy: -210.768
where: short stacking energy: -118.589
Base-Backbone interact. energy: -1.542
local terms energy: -173.536143
where:
bonds (distance) C4'-P energy: -45.658
bonds (distance) P-C4' energy: -40.856
flat angles C4'-P-C4' energy: -37.927
flat angles P-C4'-P energy: -33.012
tors. eta vs tors. theta energy: -16.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -282.381583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.381583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.381583 (E_RNA)
where:
Base-Base interactions energy: -131.879
where: short stacking energy: -82.990
Base-Backbone interact. energy: 1.960
local terms energy: -152.462775
where:
bonds (distance) C4'-P energy: -40.224
bonds (distance) P-C4' energy: -40.777
flat angles C4'-P-C4' energy: -42.208
flat angles P-C4'-P energy: -23.337
tors. eta vs tors. theta energy: -5.916
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: 1, replica: 1
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -954.891803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.891803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.891803 (E_RNA)
where:
Base-Base interactions energy: -664.215
where: short stacking energy: -289.795
Base-Backbone interact. energy: -0.516
local terms energy: -290.160621
where:
bonds (distance) C4'-P energy: -50.708
bonds (distance) P-C4' energy: -60.013
flat angles C4'-P-C4' energy: -61.550
flat angles P-C4'-P energy: -34.920
tors. eta vs tors. theta energy: -82.970
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: 378
Temperature: 0.950000
Total energy: -920.269565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.269565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.269565 (E_RNA)
where:
Base-Base interactions energy: -647.645
where: short stacking energy: -260.702
Base-Backbone interact. energy: -0.352
local terms energy: -272.272654
where:
bonds (distance) C4'-P energy: -50.581
bonds (distance) P-C4' energy: -50.862
flat angles C4'-P-C4' energy: -56.494
flat angles P-C4'-P energy: -37.592
tors. eta vs tors. theta energy: -76.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -909.962586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.962586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.962586 (E_RNA)
where:
Base-Base interactions energy: -640.256
where: short stacking energy: -269.564
Base-Backbone interact. energy: -0.989
local terms energy: -268.717808
where:
bonds (distance) C4'-P energy: -47.551
bonds (distance) P-C4' energy: -51.989
flat angles C4'-P-C4' energy: -54.390
flat angles P-C4'-P energy: -36.082
tors. eta vs tors. theta energy: -78.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -869.559976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.559976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.559976 (E_RNA)
where:
Base-Base interactions energy: -600.128
where: short stacking energy: -238.922
Base-Backbone interact. energy: -1.409
local terms energy: -268.023067
where:
bonds (distance) C4'-P energy: -40.619
bonds (distance) P-C4' energy: -56.611
flat angles C4'-P-C4' energy: -55.442
flat angles P-C4'-P energy: -47.695
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: 5, replica: 4
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -802.443381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.443381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.443381 (E_RNA)
where:
Base-Base interactions energy: -538.793
where: short stacking energy: -221.351
Base-Backbone interact. energy: -1.209
local terms energy: -262.441152
where:
bonds (distance) C4'-P energy: -57.060
bonds (distance) P-C4' energy: -58.929
flat angles C4'-P-C4' energy: -51.346
flat angles P-C4'-P energy: -40.888
tors. eta vs tors. theta energy: -54.219
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: 6, replica: 5
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -753.271598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.271598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.271598 (E_RNA)
where:
Base-Base interactions energy: -525.010
where: short stacking energy: -211.858
Base-Backbone interact. energy: -0.636
local terms energy: -227.625670
where:
bonds (distance) C4'-P energy: -44.745
bonds (distance) P-C4' energy: -45.136
flat angles C4'-P-C4' energy: -54.482
flat angles P-C4'-P energy: -25.767
tors. eta vs tors. theta energy: -57.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -747.147743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.147743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.147743 (E_RNA)
where:
Base-Base interactions energy: -511.394
where: short stacking energy: -214.661
Base-Backbone interact. energy: -1.574
local terms energy: -234.180185
where:
bonds (distance) C4'-P energy: -40.290
bonds (distance) P-C4' energy: -39.026
flat angles C4'-P-C4' energy: -50.689
flat angles P-C4'-P energy: -43.344
tors. eta vs tors. theta energy: -60.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -663.145039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.145039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.145039 (E_RNA)
where:
Base-Base interactions energy: -458.947
where: short stacking energy: -173.972
Base-Backbone interact. energy: -2.474
local terms energy: -201.724483
where:
bonds (distance) C4'-P energy: -36.553
bonds (distance) P-C4' energy: -33.987
flat angles C4'-P-C4' energy: -52.048
flat angles P-C4'-P energy: -28.987
tors. eta vs tors. theta energy: -50.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -403.545586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.545586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.545586 (E_RNA)
where:
Base-Base interactions energy: -226.800
where: short stacking energy: -118.803
Base-Backbone interact. energy: 0.922
local terms energy: -177.667505
where:
bonds (distance) C4'-P energy: -37.780
bonds (distance) P-C4' energy: -48.531
flat angles C4'-P-C4' energy: -40.946
flat angles P-C4'-P energy: -25.065
tors. eta vs tors. theta energy: -25.345
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: 6
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -220.109899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.109899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.109899 (E_RNA)
where:
Base-Base interactions energy: -77.305
where: short stacking energy: -55.348
Base-Backbone interact. energy: -0.472
local terms energy: -142.332931
where:
bonds (distance) C4'-P energy: -34.780
bonds (distance) P-C4' energy: -50.260
flat angles C4'-P-C4' energy: -36.128
flat angles P-C4'-P energy: -24.475
tors. eta vs tors. theta energy: 3.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -965.571838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.571838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.571838 (E_RNA)
where:
Base-Base interactions energy: -676.151
where: short stacking energy: -293.781
Base-Backbone interact. energy: -0.926
local terms energy: -288.494299
where:
bonds (distance) C4'-P energy: -48.597
bonds (distance) P-C4' energy: -44.151
flat angles C4'-P-C4' energy: -63.948
flat angles P-C4'-P energy: -42.287
tors. eta vs tors. theta energy: -89.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -924.475616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.475616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.475616 (E_RNA)
where:
Base-Base interactions energy: -643.977
where: short stacking energy: -274.952
Base-Backbone interact. energy: -0.932
local terms energy: -279.567038
where:
bonds (distance) C4'-P energy: -56.588
bonds (distance) P-C4' energy: -51.096
flat angles C4'-P-C4' energy: -55.636
flat angles P-C4'-P energy: -36.578
tors. eta vs tors. theta energy: -79.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -906.132626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.132626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.132626 (E_RNA)
where:
Base-Base interactions energy: -635.221
where: short stacking energy: -257.589
Base-Backbone interact. energy: -2.167
local terms energy: -268.744424
where:
bonds (distance) C4'-P energy: -42.338
bonds (distance) P-C4' energy: -50.306
flat angles C4'-P-C4' energy: -62.572
flat angles P-C4'-P energy: -37.935
tors. eta vs tors. theta energy: -75.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -851.464458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.464458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.464458 (E_RNA)
where:
Base-Base interactions energy: -592.138
where: short stacking energy: -246.023
Base-Backbone interact. energy: -0.789
local terms energy: -258.536945
where:
bonds (distance) C4'-P energy: -50.216
bonds (distance) P-C4' energy: -44.351
flat angles C4'-P-C4' energy: -53.906
flat angles P-C4'-P energy: -33.662
tors. eta vs tors. theta energy: -76.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -816.825293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.825293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.825293 (E_RNA)
where:
Base-Base interactions energy: -547.731
where: short stacking energy: -235.436
Base-Backbone interact. energy: -1.412
local terms energy: -267.682168
where:
bonds (distance) C4'-P energy: -46.971
bonds (distance) P-C4' energy: -54.984
flat angles C4'-P-C4' energy: -54.133
flat angles P-C4'-P energy: -36.820
tors. eta vs tors. theta energy: -74.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -773.728533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.728533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.728533 (E_RNA)
where:
Base-Base interactions energy: -520.390
where: short stacking energy: -220.998
Base-Backbone interact. energy: 1.172
local terms energy: -254.510663
where:
bonds (distance) C4'-P energy: -38.141
bonds (distance) P-C4' energy: -51.726
flat angles C4'-P-C4' energy: -56.341
flat angles P-C4'-P energy: -38.848
tors. eta vs tors. theta energy: -69.455
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: 7, replica: 5
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -750.357656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.357656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.357656 (E_RNA)
where:
Base-Base interactions energy: -518.343
where: short stacking energy: -217.176
Base-Backbone interact. energy: -0.104
local terms energy: -231.911303
where:
bonds (distance) C4'-P energy: -49.374
bonds (distance) P-C4' energy: -43.840
flat angles C4'-P-C4' energy: -48.311
flat angles P-C4'-P energy: -34.589
tors. eta vs tors. theta energy: -55.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -638.122670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.122670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.122670 (E_RNA)
where:
Base-Base interactions energy: -411.056
where: short stacking energy: -178.954
Base-Backbone interact. energy: 0.313
local terms energy: -227.379761
where:
bonds (distance) C4'-P energy: -45.048
bonds (distance) P-C4' energy: -46.643
flat angles C4'-P-C4' energy: -49.866
flat angles P-C4'-P energy: -35.719
tors. eta vs tors. theta energy: -50.104
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: 379
Temperature: 1.300000
Total energy: -381.542371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.542371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.542371 (E_RNA)
where:
Base-Base interactions energy: -190.476
where: short stacking energy: -108.885
Base-Backbone interact. energy: -0.864
local terms energy: -190.202650
where:
bonds (distance) C4'-P energy: -40.137
bonds (distance) P-C4' energy: -42.011
flat angles C4'-P-C4' energy: -46.882
flat angles P-C4'-P energy: -38.246
tors. eta vs tors. theta energy: -22.927
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: 10, replica: 6
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -271.965669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.965669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.965669 (E_RNA)
where:
Base-Base interactions energy: -122.971
where: short stacking energy: -80.185
Base-Backbone interact. energy: 2.123
local terms energy: -151.117566
where:
bonds (distance) C4'-P energy: -46.548
bonds (distance) P-C4' energy: -49.245
flat angles C4'-P-C4' energy: -35.612
flat angles P-C4'-P energy: -17.764
tors. eta vs tors. theta energy: -1.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -947.561791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.561791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.561791 (E_RNA)
where:
Base-Base interactions energy: -661.505
where: short stacking energy: -274.153
Base-Backbone interact. energy: 0.016
local terms energy: -286.072992
where:
bonds (distance) C4'-P energy: -49.137
bonds (distance) P-C4' energy: -48.924
flat angles C4'-P-C4' energy: -63.182
flat angles P-C4'-P energy: -43.577
tors. eta vs tors. theta energy: -81.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -950.481222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.481222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.481222 (E_RNA)
where:
Base-Base interactions energy: -663.073
where: short stacking energy: -293.239
Base-Backbone interact. energy: 1.856
local terms energy: -289.264099
where:
bonds (distance) C4'-P energy: -46.989
bonds (distance) P-C4' energy: -47.878
flat angles C4'-P-C4' energy: -58.093
flat angles P-C4'-P energy: -45.330
tors. eta vs tors. theta energy: -90.974
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: 3, replica: 8
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -881.966122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.966122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.966122 (E_RNA)
where:
Base-Base interactions energy: -594.099
where: short stacking energy: -253.747
Base-Backbone interact. energy: -0.816
local terms energy: -287.051186
where:
bonds (distance) C4'-P energy: -51.621
bonds (distance) P-C4' energy: -49.062
flat angles C4'-P-C4' energy: -67.327
flat angles P-C4'-P energy: -38.036
tors. eta vs tors. theta energy: -81.005
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: 2
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -899.135522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.135522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.135522 (E_RNA)
where:
Base-Base interactions energy: -633.749
where: short stacking energy: -249.884
Base-Backbone interact. energy: -1.159
local terms energy: -264.228318
where:
bonds (distance) C4'-P energy: -49.728
bonds (distance) P-C4' energy: -45.814
flat angles C4'-P-C4' energy: -51.702
flat angles P-C4'-P energy: -42.348
tors. eta vs tors. theta energy: -74.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -844.313004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.313004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.313004 (E_RNA)
where:
Base-Base interactions energy: -579.365
where: short stacking energy: -251.890
Base-Backbone interact. energy: 1.849
local terms energy: -266.797501
where:
bonds (distance) C4'-P energy: -50.285
bonds (distance) P-C4' energy: -46.577
flat angles C4'-P-C4' energy: -57.643
flat angles P-C4'-P energy: -36.465
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: 6, replica: 7
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -792.257786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.257786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.257786 (E_RNA)
where:
Base-Base interactions energy: -564.494
where: short stacking energy: -220.699
Base-Backbone interact. energy: -0.017
local terms energy: -227.745988
where:
bonds (distance) C4'-P energy: -39.076
bonds (distance) P-C4' energy: -42.013
flat angles C4'-P-C4' energy: -50.470
flat angles P-C4'-P energy: -35.371
tors. eta vs tors. theta energy: -60.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -745.307368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.307368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.307368 (E_RNA)
where:
Base-Base interactions energy: -494.829
where: short stacking energy: -199.090
Base-Backbone interact. energy: -0.498
local terms energy: -249.980268
where:
bonds (distance) C4'-P energy: -49.648
bonds (distance) P-C4' energy: -56.827
flat angles C4'-P-C4' energy: -46.934
flat angles P-C4'-P energy: -33.475
tors. eta vs tors. theta energy: -63.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -623.919684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.919684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.919684 (E_RNA)
where:
Base-Base interactions energy: -423.559
where: short stacking energy: -170.821
Base-Backbone interact. energy: 0.652
local terms energy: -201.013056
where:
bonds (distance) C4'-P energy: -46.517
bonds (distance) P-C4' energy: -50.033
flat angles C4'-P-C4' energy: -38.227
flat angles P-C4'-P energy: -23.984
tors. eta vs tors. theta energy: -42.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -364.598946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.598946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.598946 (E_RNA)
where:
Base-Base interactions energy: -193.616
where: short stacking energy: -99.788
Base-Backbone interact. energy: 0.238
local terms energy: -171.221047
where:
bonds (distance) C4'-P energy: -49.237
bonds (distance) P-C4' energy: -48.712
flat angles C4'-P-C4' energy: -35.954
flat angles P-C4'-P energy: -24.331
tors. eta vs tors. theta energy: -12.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -290.898215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.898215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.898215 (E_RNA)
where:
Base-Base interactions energy: -142.073
where: short stacking energy: -81.619
Base-Backbone interact. energy: -1.041
local terms energy: -147.783825
where:
bonds (distance) C4'-P energy: -34.181
bonds (distance) P-C4' energy: -54.138
flat angles C4'-P-C4' energy: -34.919
flat angles P-C4'-P energy: -26.469
tors. eta vs tors. theta energy: 1.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -971.607519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.607519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.607519 (E_RNA)
where:
Base-Base interactions energy: -675.393
where: short stacking energy: -288.775
Base-Backbone interact. energy: -2.664
local terms energy: -293.550575
where:
bonds (distance) C4'-P energy: -54.577
bonds (distance) P-C4' energy: -51.056
flat angles C4'-P-C4' energy: -63.062
flat angles P-C4'-P energy: -41.329
tors. eta vs tors. theta energy: -83.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -937.182666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.182666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.182666 (E_RNA)
where:
Base-Base interactions energy: -636.219
where: short stacking energy: -294.307
Base-Backbone interact. energy: -0.385
local terms energy: -300.579371
where:
bonds (distance) C4'-P energy: -51.040
bonds (distance) P-C4' energy: -48.467
flat angles C4'-P-C4' energy: -64.708
flat angles P-C4'-P energy: -45.490
tors. eta vs tors. theta energy: -90.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -862.389194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.389194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.389194 (E_RNA)
where:
Base-Base interactions energy: -589.741
where: short stacking energy: -242.323
Base-Backbone interact. energy: -0.163
local terms energy: -272.484865
where:
bonds (distance) C4'-P energy: -49.776
bonds (distance) P-C4' energy: -52.817
flat angles C4'-P-C4' energy: -57.666
flat angles P-C4'-P energy: -39.544
tors. eta vs tors. theta energy: -72.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -893.369283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.369283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.369283 (E_RNA)
where:
Base-Base interactions energy: -641.524
where: short stacking energy: -259.458
Base-Backbone interact. energy: -1.600
local terms energy: -250.244453
where:
bonds (distance) C4'-P energy: -42.669
bonds (distance) P-C4' energy: -51.364
flat angles C4'-P-C4' energy: -43.135
flat angles P-C4'-P energy: -43.124
tors. eta vs tors. theta energy: -69.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -809.508956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.508956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.508956 (E_RNA)
where:
Base-Base interactions energy: -568.542
where: short stacking energy: -236.102
Base-Backbone interact. energy: -1.709
local terms energy: -239.257704
where:
bonds (distance) C4'-P energy: -42.367
bonds (distance) P-C4' energy: -52.991
flat angles C4'-P-C4' energy: -45.403
flat angles P-C4'-P energy: -34.916
tors. eta vs tors. theta energy: -63.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -756.188065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.188065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.188065 (E_RNA)
where:
Base-Base interactions energy: -512.913
where: short stacking energy: -223.240
Base-Backbone interact. energy: -0.975
local terms energy: -242.299760
where:
bonds (distance) C4'-P energy: -47.598
bonds (distance) P-C4' energy: -52.170
flat angles C4'-P-C4' energy: -53.329
flat angles P-C4'-P energy: -34.683
tors. eta vs tors. theta energy: -54.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -722.748158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.748158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.748158 (E_RNA)
where:
Base-Base interactions energy: -490.739
where: short stacking energy: -211.943
Base-Backbone interact. energy: -1.420
local terms energy: -230.588959
where:
bonds (distance) C4'-P energy: -42.404
bonds (distance) P-C4' energy: -45.136
flat angles C4'-P-C4' energy: -52.379
flat angles P-C4'-P energy: -32.312
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: 8, replica: 3
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -611.066356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.066356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.066356 (E_RNA)
where:
Base-Base interactions energy: -418.955
where: short stacking energy: -178.561
Base-Backbone interact. energy: -0.710
local terms energy: -191.400833
where:
bonds (distance) C4'-P energy: -49.261
bonds (distance) P-C4' energy: -36.433
flat angles C4'-P-C4' energy: -44.422
flat angles P-C4'-P energy: -21.435
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: 9, replica: 9
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -355.546978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.546978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.546978 (E_RNA)
where:
Base-Base interactions energy: -192.091
where: short stacking energy: -96.906
Base-Backbone interact. energy: -0.131
local terms energy: -163.325857
where:
bonds (distance) C4'-P energy: -33.722
bonds (distance) P-C4' energy: -52.426
flat angles C4'-P-C4' energy: -38.922
flat angles P-C4'-P energy: -24.979
tors. eta vs tors. theta energy: -13.277
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: 6
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -291.376264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.376264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.376264 (E_RNA)
where:
Base-Base interactions energy: -134.136
where: short stacking energy: -78.059
Base-Backbone interact. energy: 0.160
local terms energy: -157.399487
where:
bonds (distance) C4'-P energy: -41.115
bonds (distance) P-C4' energy: -45.593
flat angles C4'-P-C4' energy: -37.658
flat angles P-C4'-P energy: -25.676
tors. eta vs tors. theta energy: -7.357
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: 10
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -951.781333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.781333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.781333 (E_RNA)
where:
Base-Base interactions energy: -654.913
where: short stacking energy: -277.001
Base-Backbone interact. energy: 0.192
local terms energy: -297.060103
where:
bonds (distance) C4'-P energy: -48.872
bonds (distance) P-C4' energy: -57.103
flat angles C4'-P-C4' energy: -63.395
flat angles P-C4'-P energy: -43.651
tors. eta vs tors. theta energy: -84.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -935.651191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.651191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.651191 (E_RNA)
where:
Base-Base interactions energy: -656.945
where: short stacking energy: -289.414
Base-Backbone interact. energy: -1.034
local terms energy: -277.672535
where:
bonds (distance) C4'-P energy: -41.393
bonds (distance) P-C4' energy: -44.872
flat angles C4'-P-C4' energy: -62.248
flat angles P-C4'-P energy: -42.363
tors. eta vs tors. theta energy: -86.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -870.028928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.028928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.028928 (E_RNA)
where:
Base-Base interactions energy: -588.204
where: short stacking energy: -240.841
Base-Backbone interact. energy: -0.821
local terms energy: -281.003932
where:
bonds (distance) C4'-P energy: -48.603
bonds (distance) P-C4' energy: -55.811
flat angles C4'-P-C4' energy: -58.137
flat angles P-C4'-P energy: -43.004
tors. eta vs tors. theta energy: -75.448
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: 4, replica: 2
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -880.874246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.874246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.874246 (E_RNA)
where:
Base-Base interactions energy: -624.241
where: short stacking energy: -249.243
Base-Backbone interact. energy: -0.442
local terms energy: -256.191446
where:
bonds (distance) C4'-P energy: -51.590
bonds (distance) P-C4' energy: -49.545
flat angles C4'-P-C4' energy: -51.918
flat angles P-C4'-P energy: -38.908
tors. eta vs tors. theta energy: -64.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -797.832016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.832016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.832016 (E_RNA)
where:
Base-Base interactions energy: -544.114
where: short stacking energy: -224.269
Base-Backbone interact. energy: 2.183
local terms energy: -255.900876
where:
bonds (distance) C4'-P energy: -50.934
bonds (distance) P-C4' energy: -47.883
flat angles C4'-P-C4' energy: -50.906
flat angles P-C4'-P energy: -39.010
tors. eta vs tors. theta energy: -67.168
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: 6, replica: 7
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -733.854413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.854413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.854413 (E_RNA)
where:
Base-Base interactions energy: -511.351
where: short stacking energy: -197.830
Base-Backbone interact. energy: -0.562
local terms energy: -221.941606
where:
bonds (distance) C4'-P energy: -38.985
bonds (distance) P-C4' energy: -45.426
flat angles C4'-P-C4' energy: -53.023
flat angles P-C4'-P energy: -28.905
tors. eta vs tors. theta energy: -55.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -762.000082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.000082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.000082 (E_RNA)
where:
Base-Base interactions energy: -522.404
where: short stacking energy: -224.656
Base-Backbone interact. energy: -1.045
local terms energy: -238.551000
where:
bonds (distance) C4'-P energy: -34.403
bonds (distance) P-C4' energy: -49.880
flat angles C4'-P-C4' energy: -51.124
flat angles P-C4'-P energy: -35.603
tors. eta vs tors. theta energy: -67.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -621.472999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.472999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.472999 (E_RNA)
where:
Base-Base interactions energy: -416.968
where: short stacking energy: -171.701
Base-Backbone interact. energy: 0.520
local terms energy: -205.024818
where:
bonds (distance) C4'-P energy: -45.726
bonds (distance) P-C4' energy: -44.935
flat angles C4'-P-C4' energy: -48.916
flat angles P-C4'-P energy: -23.596
tors. eta vs tors. theta energy: -41.852
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: 382
Temperature: 1.300000
Total energy: -355.923522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.923522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.923522 (E_RNA)
where:
Base-Base interactions energy: -208.616
where: short stacking energy: -106.809
Base-Backbone interact. energy: 0.532
local terms energy: -147.839667
where:
bonds (distance) C4'-P energy: -40.684
bonds (distance) P-C4' energy: -40.293
flat angles C4'-P-C4' energy: -41.190
flat angles P-C4'-P energy: -11.862
tors. eta vs tors. theta energy: -13.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -299.151040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.151040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.151040 (E_RNA)
where:
Base-Base interactions energy: -152.293
where: short stacking energy: -88.328
Base-Backbone interact. energy: 0.792
local terms energy: -147.650313
where:
bonds (distance) C4'-P energy: -45.850
bonds (distance) P-C4' energy: -40.636
flat angles C4'-P-C4' energy: -26.151
flat angles P-C4'-P energy: -23.262
tors. eta vs tors. theta energy: -11.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -971.505792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.505792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.505792 (E_RNA)
where:
Base-Base interactions energy: -678.231
where: short stacking energy: -284.061
Base-Backbone interact. energy: -2.014
local terms energy: -291.260160
where:
bonds (distance) C4'-P energy: -55.855
bonds (distance) P-C4' energy: -48.887
flat angles C4'-P-C4' energy: -58.282
flat angles P-C4'-P energy: -39.794
tors. eta vs tors. theta energy: -88.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -961.262903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.262903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.262903 (E_RNA)
where:
Base-Base interactions energy: -663.601
where: short stacking energy: -293.094
Base-Backbone interact. energy: -0.931
local terms energy: -296.731460
where:
bonds (distance) C4'-P energy: -50.544
bonds (distance) P-C4' energy: -56.744
flat angles C4'-P-C4' energy: -62.104
flat angles P-C4'-P energy: -42.177
tors. eta vs tors. theta energy: -85.162
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: 8
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -865.854579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.854579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.854579 (E_RNA)
where:
Base-Base interactions energy: -599.606
where: short stacking energy: -242.281
Base-Backbone interact. energy: -0.588
local terms energy: -265.660981
where:
bonds (distance) C4'-P energy: -53.518
bonds (distance) P-C4' energy: -47.806
flat angles C4'-P-C4' energy: -59.458
flat angles P-C4'-P energy: -37.343
tors. eta vs tors. theta energy: -67.535
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: 2
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -899.927497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.927497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.927497 (E_RNA)
where:
Base-Base interactions energy: -616.877
where: short stacking energy: -265.821
Base-Backbone interact. energy: -1.012
local terms energy: -282.038012
where:
bonds (distance) C4'-P energy: -49.665
bonds (distance) P-C4' energy: -51.514
flat angles C4'-P-C4' energy: -54.135
flat angles P-C4'-P energy: -46.085
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: 5, replica: 4
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -798.946808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.946808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.946808 (E_RNA)
where:
Base-Base interactions energy: -566.704
where: short stacking energy: -232.539
Base-Backbone interact. energy: -0.187
local terms energy: -232.055994
where:
bonds (distance) C4'-P energy: -44.586
bonds (distance) P-C4' energy: -37.534
flat angles C4'-P-C4' energy: -49.245
flat angles P-C4'-P energy: -37.292
tors. eta vs tors. theta energy: -63.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -773.457710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.457710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.457710 (E_RNA)
where:
Base-Base interactions energy: -538.016
where: short stacking energy: -223.721
Base-Backbone interact. energy: -1.676
local terms energy: -233.765608
where:
bonds (distance) C4'-P energy: -44.340
bonds (distance) P-C4' energy: -48.287
flat angles C4'-P-C4' energy: -51.631
flat angles P-C4'-P energy: -24.954
tors. eta vs tors. theta energy: -64.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -749.411549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.411549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.411549 (E_RNA)
where:
Base-Base interactions energy: -530.614
where: short stacking energy: -216.716
Base-Backbone interact. energy: -0.101
local terms energy: -218.696900
where:
bonds (distance) C4'-P energy: -53.542
bonds (distance) P-C4' energy: -43.455
flat angles C4'-P-C4' energy: -38.707
flat angles P-C4'-P energy: -29.978
tors. eta vs tors. theta energy: -53.014
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: 8, replica: 3
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -597.298891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.298891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.298891 (E_RNA)
where:
Base-Base interactions energy: -390.867
where: short stacking energy: -146.817
Base-Backbone interact. energy: -1.498
local terms energy: -204.933149
where:
bonds (distance) C4'-P energy: -44.402
bonds (distance) P-C4' energy: -55.776
flat angles C4'-P-C4' energy: -47.262
flat angles P-C4'-P energy: -26.489
tors. eta vs tors. theta energy: -31.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -382.849162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.849162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.849162 (E_RNA)
where:
Base-Base interactions energy: -204.347
where: short stacking energy: -114.427
Base-Backbone interact. energy: -0.888
local terms energy: -177.613786
where:
bonds (distance) C4'-P energy: -44.717
bonds (distance) P-C4' energy: -53.956
flat angles C4'-P-C4' energy: -34.700
flat angles P-C4'-P energy: -31.588
tors. eta vs tors. theta energy: -12.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -298.091800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.091800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.091800 (E_RNA)
where:
Base-Base interactions energy: -146.012
where: short stacking energy: -70.261
Base-Backbone interact. energy: -1.949
local terms energy: -150.130948
where:
bonds (distance) C4'-P energy: -40.819
bonds (distance) P-C4' energy: -46.355
flat angles C4'-P-C4' energy: -40.185
flat angles P-C4'-P energy: -28.059
tors. eta vs tors. theta energy: 5.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -953.798028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.798028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.798028 (E_RNA)
where:
Base-Base interactions energy: -669.291
where: short stacking energy: -293.394
Base-Backbone interact. energy: -1.864
local terms energy: -282.642659
where:
bonds (distance) C4'-P energy: -50.886
bonds (distance) P-C4' energy: -47.993
flat angles C4'-P-C4' energy: -58.884
flat angles P-C4'-P energy: -36.190
tors. eta vs tors. theta energy: -88.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -932.603441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.603441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.603441 (E_RNA)
where:
Base-Base interactions energy: -662.446
where: short stacking energy: -282.816
Base-Backbone interact. energy: -1.124
local terms energy: -269.033533
where:
bonds (distance) C4'-P energy: -45.073
bonds (distance) P-C4' energy: -50.517
flat angles C4'-P-C4' energy: -50.621
flat angles P-C4'-P energy: -42.185
tors. eta vs tors. theta energy: -80.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -910.066134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.066134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.066134 (E_RNA)
where:
Base-Base interactions energy: -635.558
where: short stacking energy: -262.800
Base-Backbone interact. energy: -0.195
local terms energy: -274.312972
where:
bonds (distance) C4'-P energy: -60.041
bonds (distance) P-C4' energy: -45.972
flat angles C4'-P-C4' energy: -55.137
flat angles P-C4'-P energy: -33.163
tors. eta vs tors. theta energy: -79.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -864.010417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.010417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.010417 (E_RNA)
where:
Base-Base interactions energy: -599.731
where: short stacking energy: -252.266
Base-Backbone interact. energy: -1.212
local terms energy: -263.067040
where:
bonds (distance) C4'-P energy: -45.049
bonds (distance) P-C4' energy: -51.632
flat angles C4'-P-C4' energy: -59.197
flat angles P-C4'-P energy: -36.259
tors. eta vs tors. theta energy: -70.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -825.651665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.651665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.651665 (E_RNA)
where:
Base-Base interactions energy: -560.799
where: short stacking energy: -237.065
Base-Backbone interact. energy: 3.127
local terms energy: -267.979529
where:
bonds (distance) C4'-P energy: -55.723
bonds (distance) P-C4' energy: -38.515
flat angles C4'-P-C4' energy: -61.239
flat angles P-C4'-P energy: -40.631
tors. eta vs tors. theta energy: -71.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -787.922745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.922745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.922745 (E_RNA)
where:
Base-Base interactions energy: -543.026
where: short stacking energy: -231.823
Base-Backbone interact. energy: -2.074
local terms energy: -242.822670
where:
bonds (distance) C4'-P energy: -48.828
bonds (distance) P-C4' energy: -45.688
flat angles C4'-P-C4' energy: -56.038
flat angles P-C4'-P energy: -36.039
tors. eta vs tors. theta energy: -56.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -742.055958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.055958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.055958 (E_RNA)
where:
Base-Base interactions energy: -505.883
where: short stacking energy: -210.607
Base-Backbone interact. energy: 0.941
local terms energy: -237.114132
where:
bonds (distance) C4'-P energy: -42.461
bonds (distance) P-C4' energy: -52.949
flat angles C4'-P-C4' energy: -49.168
flat angles P-C4'-P energy: -33.957
tors. eta vs tors. theta energy: -58.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -579.926792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.926792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.926792 (E_RNA)
where:
Base-Base interactions energy: -369.324
where: short stacking energy: -155.055
Base-Backbone interact. energy: 1.167
local terms energy: -211.770716
where:
bonds (distance) C4'-P energy: -41.547
bonds (distance) P-C4' energy: -48.188
flat angles C4'-P-C4' energy: -51.788
flat angles P-C4'-P energy: -35.330
tors. eta vs tors. theta energy: -34.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -333.678995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.678995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.678995 (E_RNA)
where:
Base-Base interactions energy: -178.977
where: short stacking energy: -87.301
Base-Backbone interact. energy: 1.085
local terms energy: -155.787568
where:
bonds (distance) C4'-P energy: -46.563
bonds (distance) P-C4' energy: -38.089
flat angles C4'-P-C4' energy: -46.151
flat angles P-C4'-P energy: -18.131
tors. eta vs tors. theta energy: -6.853
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: 9
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -367.708633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.708633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.708633 (E_RNA)
where:
Base-Base interactions energy: -183.706
where: short stacking energy: -90.995
Base-Backbone interact. energy: 1.543
local terms energy: -185.546147
where:
bonds (distance) C4'-P energy: -39.605
bonds (distance) P-C4' energy: -50.037
flat angles C4'-P-C4' energy: -49.338
flat angles P-C4'-P energy: -36.260
tors. eta vs tors. theta energy: -10.306
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: 1
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -949.806444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.806444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.806444 (E_RNA)
where:
Base-Base interactions energy: -670.552
where: short stacking energy: -290.774
Base-Backbone interact. energy: -0.366
local terms energy: -278.888742
where:
bonds (distance) C4'-P energy: -50.171
bonds (distance) P-C4' energy: -46.298
flat angles C4'-P-C4' energy: -60.383
flat angles P-C4'-P energy: -39.090
tors. eta vs tors. theta energy: -82.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -941.378568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.378568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.378568 (E_RNA)
where:
Base-Base interactions energy: -660.163
where: short stacking energy: -270.557
Base-Backbone interact. energy: -0.906
local terms energy: -280.309849
where:
bonds (distance) C4'-P energy: -50.215
bonds (distance) P-C4' energy: -52.609
flat angles C4'-P-C4' energy: -56.803
flat angles P-C4'-P energy: -37.104
tors. eta vs tors. theta energy: -83.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -908.873424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.873424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.873424 (E_RNA)
where:
Base-Base interactions energy: -630.760
where: short stacking energy: -272.763
Base-Backbone interact. energy: -1.890
local terms energy: -276.223488
where:
bonds (distance) C4'-P energy: -46.055
bonds (distance) P-C4' energy: -54.081
flat angles C4'-P-C4' energy: -56.144
flat angles P-C4'-P energy: -37.129
tors. eta vs tors. theta energy: -82.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -858.682955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.682955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.682955 (E_RNA)
where:
Base-Base interactions energy: -606.629
where: short stacking energy: -240.062
Base-Backbone interact. energy: 2.164
local terms energy: -254.218154
where:
bonds (distance) C4'-P energy: -43.461
bonds (distance) P-C4' energy: -56.292
flat angles C4'-P-C4' energy: -47.435
flat angles P-C4'-P energy: -37.364
tors. eta vs tors. theta energy: -69.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -795.830936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.830936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.830936 (E_RNA)
where:
Base-Base interactions energy: -547.544
where: short stacking energy: -243.604
Base-Backbone interact. energy: -0.898
local terms energy: -247.389204
where:
bonds (distance) C4'-P energy: -35.184
bonds (distance) P-C4' energy: -49.360
flat angles C4'-P-C4' energy: -54.341
flat angles P-C4'-P energy: -45.512
tors. eta vs tors. theta energy: -62.992
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: 5
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -766.220990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.220990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.220990 (E_RNA)
where:
Base-Base interactions energy: -521.373
where: short stacking energy: -213.037
Base-Backbone interact. energy: -0.431
local terms energy: -244.417322
where:
bonds (distance) C4'-P energy: -52.779
bonds (distance) P-C4' energy: -46.857
flat angles C4'-P-C4' energy: -52.169
flat angles P-C4'-P energy: -31.463
tors. eta vs tors. theta energy: -61.149
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: 385
Temperature: 1.200000
Total energy: -736.286170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.286170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.286170 (E_RNA)
where:
Base-Base interactions energy: -506.133
where: short stacking energy: -216.102
Base-Backbone interact. energy: 0.097
local terms energy: -230.250269
where:
bonds (distance) C4'-P energy: -41.938
bonds (distance) P-C4' energy: -37.554
flat angles C4'-P-C4' energy: -53.506
flat angles P-C4'-P energy: -39.635
tors. eta vs tors. theta energy: -57.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -570.984132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.984132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.984132 (E_RNA)
where:
Base-Base interactions energy: -387.147
where: short stacking energy: -143.524
Base-Backbone interact. energy: -0.784
local terms energy: -183.053759
where:
bonds (distance) C4'-P energy: -43.315
bonds (distance) P-C4' energy: -43.354
flat angles C4'-P-C4' energy: -34.083
flat angles P-C4'-P energy: -34.292
tors. eta vs tors. theta energy: -28.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -318.067669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.067669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.067669 (E_RNA)
where:
Base-Base interactions energy: -158.142
where: short stacking energy: -98.335
Base-Backbone interact. energy: 3.017
local terms energy: -162.943254
where:
bonds (distance) C4'-P energy: -34.967
bonds (distance) P-C4' energy: -47.446
flat angles C4'-P-C4' energy: -37.458
flat angles P-C4'-P energy: -31.804
tors. eta vs tors. theta energy: -11.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -363.526735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.526735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.526735 (E_RNA)
where:
Base-Base interactions energy: -223.684
where: short stacking energy: -124.706
Base-Backbone interact. energy: 2.997
local terms energy: -142.839396
where:
bonds (distance) C4'-P energy: -29.440
bonds (distance) P-C4' energy: -38.469
flat angles C4'-P-C4' energy: -47.002
flat angles P-C4'-P energy: -16.434
tors. eta vs tors. theta energy: -11.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -951.473778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.473778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.473778 (E_RNA)
where:
Base-Base interactions energy: -643.725
where: short stacking energy: -290.814
Base-Backbone interact. energy: -0.900
local terms energy: -306.848809
where:
bonds (distance) C4'-P energy: -52.615
bonds (distance) P-C4' energy: -58.601
flat angles C4'-P-C4' energy: -64.938
flat angles P-C4'-P energy: -47.063
tors. eta vs tors. theta energy: -83.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -937.673079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.673079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.673079 (E_RNA)
where:
Base-Base interactions energy: -650.487
where: short stacking energy: -280.286
Base-Backbone interact. energy: -2.360
local terms energy: -284.825179
where:
bonds (distance) C4'-P energy: -49.629
bonds (distance) P-C4' energy: -53.498
flat angles C4'-P-C4' energy: -58.120
flat angles P-C4'-P energy: -39.888
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: 3, replica: 10
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -901.529043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.529043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.529043 (E_RNA)
where:
Base-Base interactions energy: -626.109
where: short stacking energy: -274.359
Base-Backbone interact. energy: 0.822
local terms energy: -276.241871
where:
bonds (distance) C4'-P energy: -45.637
bonds (distance) P-C4' energy: -45.435
flat angles C4'-P-C4' energy: -57.412
flat angles P-C4'-P energy: -41.793
tors. eta vs tors. theta energy: -85.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -881.809064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.809064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.809064 (E_RNA)
where:
Base-Base interactions energy: -596.388
where: short stacking energy: -252.463
Base-Backbone interact. energy: -1.890
local terms energy: -283.530892
where:
bonds (distance) C4'-P energy: -54.868
bonds (distance) P-C4' energy: -50.974
flat angles C4'-P-C4' energy: -62.140
flat angles P-C4'-P energy: -40.902
tors. eta vs tors. theta energy: -74.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -802.286165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.286165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.286165 (E_RNA)
where:
Base-Base interactions energy: -544.381
where: short stacking energy: -224.861
Base-Backbone interact. energy: -0.904
local terms energy: -257.000742
where:
bonds (distance) C4'-P energy: -51.630
bonds (distance) P-C4' energy: -48.695
flat angles C4'-P-C4' energy: -56.468
flat angles P-C4'-P energy: -37.442
tors. eta vs tors. theta energy: -62.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -767.271756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.271756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.271756 (E_RNA)
where:
Base-Base interactions energy: -514.911
where: short stacking energy: -210.494
Base-Backbone interact. energy: -1.728
local terms energy: -250.632225
where:
bonds (distance) C4'-P energy: -41.948
bonds (distance) P-C4' energy: -55.468
flat angles C4'-P-C4' energy: -56.894
flat angles P-C4'-P energy: -34.021
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: 7, replica: 7
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -751.287128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.287128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.287128 (E_RNA)
where:
Base-Base interactions energy: -507.015
where: short stacking energy: -209.955
Base-Backbone interact. energy: -0.245
local terms energy: -244.027330
where:
bonds (distance) C4'-P energy: -57.609
bonds (distance) P-C4' energy: -44.067
flat angles C4'-P-C4' energy: -48.716
flat angles P-C4'-P energy: -32.164
tors. eta vs tors. theta energy: -61.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -614.719647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.719647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.719647 (E_RNA)
where:
Base-Base interactions energy: -404.931
where: short stacking energy: -161.774
Base-Backbone interact. energy: -1.422
local terms energy: -208.367281
where:
bonds (distance) C4'-P energy: -43.461
bonds (distance) P-C4' energy: -57.706
flat angles C4'-P-C4' energy: -38.659
flat angles P-C4'-P energy: -32.137
tors. eta vs tors. theta energy: -36.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -438.892607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.892607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.892607 (E_RNA)
where:
Base-Base interactions energy: -263.292
where: short stacking energy: -134.616
Base-Backbone interact. energy: -1.536
local terms energy: -174.064488
where:
bonds (distance) C4'-P energy: -36.085
bonds (distance) P-C4' energy: -44.849
flat angles C4'-P-C4' energy: -45.418
flat angles P-C4'-P energy: -29.294
tors. eta vs tors. theta energy: -18.418
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: 6
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -304.624395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.624395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.624395 (E_RNA)
where:
Base-Base interactions energy: -144.589
where: short stacking energy: -81.399
Base-Backbone interact. energy: 0.620
local terms energy: -160.656012
where:
bonds (distance) C4'-P energy: -45.628
bonds (distance) P-C4' energy: -44.706
flat angles C4'-P-C4' energy: -43.042
flat angles P-C4'-P energy: -22.766
tors. eta vs tors. theta energy: -4.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -960.031850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.031850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.031850 (E_RNA)
where:
Base-Base interactions energy: -650.225
where: short stacking energy: -298.211
Base-Backbone interact. energy: -1.665
local terms energy: -308.142003
where:
bonds (distance) C4'-P energy: -57.293
bonds (distance) P-C4' energy: -57.004
flat angles C4'-P-C4' energy: -62.103
flat angles P-C4'-P energy: -44.502
tors. eta vs tors. theta energy: -87.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -929.861644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.861644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.861644 (E_RNA)
where:
Base-Base interactions energy: -639.759
where: short stacking energy: -273.105
Base-Backbone interact. energy: 3.106
local terms energy: -293.208913
where:
bonds (distance) C4'-P energy: -55.914
bonds (distance) P-C4' energy: -54.744
flat angles C4'-P-C4' energy: -56.353
flat angles P-C4'-P energy: -38.828
tors. eta vs tors. theta energy: -87.369
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: 10
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -915.723923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.723923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.723923 (E_RNA)
where:
Base-Base interactions energy: -624.772
where: short stacking energy: -281.214
Base-Backbone interact. energy: 0.607
local terms energy: -291.559047
where:
bonds (distance) C4'-P energy: -51.638
bonds (distance) P-C4' energy: -58.102
flat angles C4'-P-C4' energy: -60.944
flat angles P-C4'-P energy: -38.927
tors. eta vs tors. theta energy: -81.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -896.633302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.633302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.633302 (E_RNA)
where:
Base-Base interactions energy: -621.356
where: short stacking energy: -257.195
Base-Backbone interact. energy: -0.584
local terms energy: -274.692954
where:
bonds (distance) C4'-P energy: -55.822
bonds (distance) P-C4' energy: -46.010
flat angles C4'-P-C4' energy: -53.772
flat angles P-C4'-P energy: -37.457
tors. eta vs tors. theta energy: -81.631
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: 4
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -836.433043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.433043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.433043 (E_RNA)
where:
Base-Base interactions energy: -582.551
where: short stacking energy: -259.216
Base-Backbone interact. energy: 1.372
local terms energy: -255.253869
where:
bonds (distance) C4'-P energy: -50.001
bonds (distance) P-C4' energy: -45.133
flat angles C4'-P-C4' energy: -61.046
flat angles P-C4'-P energy: -25.997
tors. eta vs tors. theta energy: -73.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -782.205421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.205421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.205421 (E_RNA)
where:
Base-Base interactions energy: -521.097
where: short stacking energy: -217.934
Base-Backbone interact. energy: -1.344
local terms energy: -259.764233
where:
bonds (distance) C4'-P energy: -44.965
bonds (distance) P-C4' energy: -56.655
flat angles C4'-P-C4' energy: -54.954
flat angles P-C4'-P energy: -36.844
tors. eta vs tors. theta energy: -66.345
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: 5
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -739.071392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.071392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.071392 (E_RNA)
where:
Base-Base interactions energy: -514.207
where: short stacking energy: -216.016
Base-Backbone interact. energy: 2.167
local terms energy: -227.030951
where:
bonds (distance) C4'-P energy: -42.053
bonds (distance) P-C4' energy: -45.962
flat angles C4'-P-C4' energy: -49.852
flat angles P-C4'-P energy: -33.676
tors. eta vs tors. theta energy: -55.489
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: 8, replica: 3
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -627.371076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.371076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.371076 (E_RNA)
where:
Base-Base interactions energy: -427.178
where: short stacking energy: -170.412
Base-Backbone interact. energy: -0.275
local terms energy: -199.917407
where:
bonds (distance) C4'-P energy: -44.795
bonds (distance) P-C4' energy: -35.990
flat angles C4'-P-C4' energy: -42.995
flat angles P-C4'-P energy: -30.127
tors. eta vs tors. theta energy: -46.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -419.731278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.731278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.731278 (E_RNA)
where:
Base-Base interactions energy: -257.776
where: short stacking energy: -120.495
Base-Backbone interact. energy: -0.442
local terms energy: -161.512442
where:
bonds (distance) C4'-P energy: -38.065
bonds (distance) P-C4' energy: -43.835
flat angles C4'-P-C4' energy: -34.933
flat angles P-C4'-P energy: -26.910
tors. eta vs tors. theta energy: -17.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -327.939730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.939730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.939730 (E_RNA)
where:
Base-Base interactions energy: -155.139
where: short stacking energy: -93.567
Base-Backbone interact. energy: -0.265
local terms energy: -172.536591
where:
bonds (distance) C4'-P energy: -48.458
bonds (distance) P-C4' energy: -38.875
flat angles C4'-P-C4' energy: -42.919
flat angles P-C4'-P energy: -31.046
tors. eta vs tors. theta energy: -11.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -963.897716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.897716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.897716 (E_RNA)
where:
Base-Base interactions energy: -655.110
where: short stacking energy: -291.677
Base-Backbone interact. energy: -0.823
local terms energy: -307.964510
where:
bonds (distance) C4'-P energy: -51.039
bonds (distance) P-C4' energy: -57.111
flat angles C4'-P-C4' energy: -68.721
flat angles P-C4'-P energy: -46.178
tors. eta vs tors. theta energy: -84.916
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: 2
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -903.555861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.555861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.555861 (E_RNA)
where:
Base-Base interactions energy: -639.973
where: short stacking energy: -273.801
Base-Backbone interact. energy: -0.423
local terms energy: -263.159698
where:
bonds (distance) C4'-P energy: -43.186
bonds (distance) P-C4' energy: -41.676
flat angles C4'-P-C4' energy: -64.417
flat angles P-C4'-P energy: -31.907
tors. eta vs tors. theta energy: -81.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -903.558487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.558487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.558487 (E_RNA)
where:
Base-Base interactions energy: -647.258
where: short stacking energy: -257.808
Base-Backbone interact. energy: -0.413
local terms energy: -255.887342
where:
bonds (distance) C4'-P energy: -45.017
bonds (distance) P-C4' energy: -49.323
flat angles C4'-P-C4' energy: -49.046
flat angles P-C4'-P energy: -37.465
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: 10
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -886.127647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.127647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.127647 (E_RNA)
where:
Base-Base interactions energy: -623.618
where: short stacking energy: -268.539
Base-Backbone interact. energy: -1.602
local terms energy: -260.907781
where:
bonds (distance) C4'-P energy: -46.812
bonds (distance) P-C4' energy: -46.488
flat angles C4'-P-C4' energy: -56.894
flat angles P-C4'-P energy: -34.506
tors. eta vs tors. theta energy: -76.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -829.828433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.828433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.828433 (E_RNA)
where:
Base-Base interactions energy: -572.248
where: short stacking energy: -240.523
Base-Backbone interact. energy: 3.953
local terms energy: -261.533935
where:
bonds (distance) C4'-P energy: -51.738
bonds (distance) P-C4' energy: -47.165
flat angles C4'-P-C4' energy: -56.337
flat angles P-C4'-P energy: -30.114
tors. eta vs tors. theta energy: -76.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -775.188647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.188647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.188647 (E_RNA)
where:
Base-Base interactions energy: -529.190
where: short stacking energy: -221.566
Base-Backbone interact. energy: -1.046
local terms energy: -244.953116
where:
bonds (distance) C4'-P energy: -47.115
bonds (distance) P-C4' energy: -47.274
flat angles C4'-P-C4' energy: -50.212
flat angles P-C4'-P energy: -40.818
tors. eta vs tors. theta energy: -59.535
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: 5
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -723.490457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.490457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.490457 (E_RNA)
where:
Base-Base interactions energy: -495.857
where: short stacking energy: -190.946
Base-Backbone interact. energy: -1.227
local terms energy: -226.406663
where:
bonds (distance) C4'-P energy: -38.789
bonds (distance) P-C4' energy: -38.857
flat angles C4'-P-C4' energy: -51.865
flat angles P-C4'-P energy: -37.519
tors. eta vs tors. theta energy: -59.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -630.252088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.252088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.252088 (E_RNA)
where:
Base-Base interactions energy: -422.874
where: short stacking energy: -169.032
Base-Backbone interact. energy: -1.043
local terms energy: -206.335233
where:
bonds (distance) C4'-P energy: -49.458
bonds (distance) P-C4' energy: -49.927
flat angles C4'-P-C4' energy: -46.929
flat angles P-C4'-P energy: -25.550
tors. eta vs tors. theta energy: -34.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -439.863767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.863767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.863767 (E_RNA)
where:
Base-Base interactions energy: -259.196
where: short stacking energy: -116.030
Base-Backbone interact. energy: -1.709
local terms energy: -178.958346
where:
bonds (distance) C4'-P energy: -42.116
bonds (distance) P-C4' energy: -55.227
flat angles C4'-P-C4' energy: -41.130
flat angles P-C4'-P energy: -25.954
tors. eta vs tors. theta energy: -14.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -323.196911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.196911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.196911 (E_RNA)
where:
Base-Base interactions energy: -161.386
where: short stacking energy: -89.578
Base-Backbone interact. energy: -0.330
local terms energy: -161.481068
where:
bonds (distance) C4'-P energy: -40.566
bonds (distance) P-C4' energy: -48.319
flat angles C4'-P-C4' energy: -44.622
flat angles P-C4'-P energy: -31.119
tors. eta vs tors. theta energy: 3.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -962.072324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.072324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.072324 (E_RNA)
where:
Base-Base interactions energy: -660.143
where: short stacking energy: -301.151
Base-Backbone interact. energy: -0.354
local terms energy: -301.575136
where:
bonds (distance) C4'-P energy: -50.398
bonds (distance) P-C4' energy: -50.745
flat angles C4'-P-C4' energy: -64.122
flat angles P-C4'-P energy: -44.971
tors. eta vs tors. theta energy: -91.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -893.242979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.242979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.242979 (E_RNA)
where:
Base-Base interactions energy: -614.895
where: short stacking energy: -256.537
Base-Backbone interact. energy: -1.302
local terms energy: -277.046120
where:
bonds (distance) C4'-P energy: -45.850
bonds (distance) P-C4' energy: -57.452
flat angles C4'-P-C4' energy: -59.701
flat angles P-C4'-P energy: -40.136
tors. eta vs tors. theta energy: -73.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -912.048346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.048346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.048346 (E_RNA)
where:
Base-Base interactions energy: -648.891
where: short stacking energy: -259.016
Base-Backbone interact. energy: -1.758
local terms energy: -261.399223
where:
bonds (distance) C4'-P energy: -44.672
bonds (distance) P-C4' energy: -48.434
flat angles C4'-P-C4' energy: -55.127
flat angles P-C4'-P energy: -40.737
tors. eta vs tors. theta energy: -72.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -843.114489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.114489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.114489 (E_RNA)
where:
Base-Base interactions energy: -592.625
where: short stacking energy: -243.116
Base-Backbone interact. energy: -0.345
local terms energy: -250.144424
where:
bonds (distance) C4'-P energy: -42.258
bonds (distance) P-C4' energy: -47.526
flat angles C4'-P-C4' energy: -50.482
flat angles P-C4'-P energy: -37.360
tors. eta vs tors. theta energy: -72.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -847.227095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.227095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.227095 (E_RNA)
where:
Base-Base interactions energy: -578.099
where: short stacking energy: -250.357
Base-Backbone interact. energy: -0.725
local terms energy: -268.403228
where:
bonds (distance) C4'-P energy: -40.683
bonds (distance) P-C4' energy: -47.338
flat angles C4'-P-C4' energy: -62.549
flat angles P-C4'-P energy: -38.807
tors. eta vs tors. theta energy: -79.026
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: 6, replica: 7
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -797.812851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.812851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.812851 (E_RNA)
where:
Base-Base interactions energy: -559.107
where: short stacking energy: -232.934
Base-Backbone interact. energy: 8.542
local terms energy: -247.247522
where:
bonds (distance) C4'-P energy: -45.538
bonds (distance) P-C4' energy: -48.877
flat angles C4'-P-C4' energy: -60.487
flat angles P-C4'-P energy: -30.519
tors. eta vs tors. theta energy: -61.827
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: 5
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -748.124618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.124618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.124618 (E_RNA)
where:
Base-Base interactions energy: -527.107
where: short stacking energy: -219.490
Base-Backbone interact. energy: 0.729
local terms energy: -221.746150
where:
bonds (distance) C4'-P energy: -45.626
bonds (distance) P-C4' energy: -46.825
flat angles C4'-P-C4' energy: -47.332
flat angles P-C4'-P energy: -23.191
tors. eta vs tors. theta energy: -58.771
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: 3
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -671.990130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.990130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.990130 (E_RNA)
where:
Base-Base interactions energy: -456.829
where: short stacking energy: -176.199
Base-Backbone interact. energy: 0.364
local terms energy: -215.525176
where:
bonds (distance) C4'-P energy: -44.047
bonds (distance) P-C4' energy: -49.623
flat angles C4'-P-C4' energy: -45.642
flat angles P-C4'-P energy: -37.358
tors. eta vs tors. theta energy: -38.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -428.749475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.749475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.749475 (E_RNA)
where:
Base-Base interactions energy: -259.234
where: short stacking energy: -128.233
Base-Backbone interact. energy: 0.190
local terms energy: -169.705142
where:
bonds (distance) C4'-P energy: -40.201
bonds (distance) P-C4' energy: -53.365
flat angles C4'-P-C4' energy: -33.188
flat angles P-C4'-P energy: -25.137
tors. eta vs tors. theta energy: -17.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -305.901887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.901887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.901887 (E_RNA)
where:
Base-Base interactions energy: -149.226
where: short stacking energy: -82.607
Base-Backbone interact. energy: -1.379
local terms energy: -155.296790
where:
bonds (distance) C4'-P energy: -41.936
bonds (distance) P-C4' energy: -41.452
flat angles C4'-P-C4' energy: -44.063
flat angles P-C4'-P energy: -25.201
tors. eta vs tors. theta energy: -2.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -962.356723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.356723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.356723 (E_RNA)
where:
Base-Base interactions energy: -665.064
where: short stacking energy: -300.161
Base-Backbone interact. energy: -2.039
local terms energy: -295.254437
where:
bonds (distance) C4'-P energy: -50.412
bonds (distance) P-C4' energy: -42.891
flat angles C4'-P-C4' energy: -64.536
flat angles P-C4'-P energy: -44.169
tors. eta vs tors. theta energy: -93.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -906.545345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.545345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.545345 (E_RNA)
where:
Base-Base interactions energy: -625.976
where: short stacking energy: -262.511
Base-Backbone interact. energy: -1.343
local terms energy: -279.225803
where:
bonds (distance) C4'-P energy: -45.102
bonds (distance) P-C4' energy: -56.605
flat angles C4'-P-C4' energy: -63.194
flat angles P-C4'-P energy: -37.967
tors. eta vs tors. theta energy: -76.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -894.115407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.115407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.115407 (E_RNA)
where:
Base-Base interactions energy: -630.128
where: short stacking energy: -261.310
Base-Backbone interact. energy: -1.144
local terms energy: -262.843263
where:
bonds (distance) C4'-P energy: -51.003
bonds (distance) P-C4' energy: -41.516
flat angles C4'-P-C4' energy: -53.321
flat angles P-C4'-P energy: -46.988
tors. eta vs tors. theta energy: -70.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -826.417776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.417776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.417776 (E_RNA)
where:
Base-Base interactions energy: -570.954
where: short stacking energy: -230.108
Base-Backbone interact. energy: -0.800
local terms energy: -254.662892
where:
bonds (distance) C4'-P energy: -53.681
bonds (distance) P-C4' energy: -52.251
flat angles C4'-P-C4' energy: -49.252
flat angles P-C4'-P energy: -38.006
tors. eta vs tors. theta energy: -61.473
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: 7
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -815.490303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.490303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.490303 (E_RNA)
where:
Base-Base interactions energy: -560.835
where: short stacking energy: -241.335
Base-Backbone interact. energy: -0.209
local terms energy: -254.445949
where:
bonds (distance) C4'-P energy: -47.648
bonds (distance) P-C4' energy: -39.344
flat angles C4'-P-C4' energy: -52.070
flat angles P-C4'-P energy: -44.343
tors. eta vs tors. theta energy: -71.041
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: 390
Temperature: 1.150000
Total energy: -782.661522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.661522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.661522 (E_RNA)
where:
Base-Base interactions energy: -537.629
where: short stacking energy: -231.834
Base-Backbone interact. energy: -0.848
local terms energy: -244.184378
where:
bonds (distance) C4'-P energy: -45.622
bonds (distance) P-C4' energy: -47.957
flat angles C4'-P-C4' energy: -55.812
flat angles P-C4'-P energy: -29.765
tors. eta vs tors. theta energy: -65.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -725.223389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.223389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.223389 (E_RNA)
where:
Base-Base interactions energy: -492.023
where: short stacking energy: -201.761
Base-Backbone interact. energy: -1.614
local terms energy: -231.585535
where:
bonds (distance) C4'-P energy: -44.499
bonds (distance) P-C4' energy: -44.870
flat angles C4'-P-C4' energy: -54.148
flat angles P-C4'-P energy: -31.910
tors. eta vs tors. theta energy: -56.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -703.274155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.274155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.274155 (E_RNA)
where:
Base-Base interactions energy: -471.279
where: short stacking energy: -211.270
Base-Backbone interact. energy: -1.784
local terms energy: -230.211266
where:
bonds (distance) C4'-P energy: -47.321
bonds (distance) P-C4' energy: -39.641
flat angles C4'-P-C4' energy: -62.048
flat angles P-C4'-P energy: -25.025
tors. eta vs tors. theta energy: -56.177
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: 390
Temperature: 1.300000
Total energy: -485.488765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.488765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.488765 (E_RNA)
where:
Base-Base interactions energy: -314.297
where: short stacking energy: -138.476
Base-Backbone interact. energy: -1.032
local terms energy: -170.159787
where:
bonds (distance) C4'-P energy: -42.781
bonds (distance) P-C4' energy: -37.766
flat angles C4'-P-C4' energy: -39.684
flat angles P-C4'-P energy: -26.200
tors. eta vs tors. theta energy: -23.728
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: 10, replica: 6
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -322.546193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.546193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.546193 (E_RNA)
where:
Base-Base interactions energy: -160.799
where: short stacking energy: -91.726
Base-Backbone interact. energy: 2.109
local terms energy: -163.855575
where:
bonds (distance) C4'-P energy: -45.748
bonds (distance) P-C4' energy: -44.749
flat angles C4'-P-C4' energy: -40.610
flat angles P-C4'-P energy: -29.545
tors. eta vs tors. theta energy: -3.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -971.127938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.127938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.127938 (E_RNA)
where:
Base-Base interactions energy: -667.032
where: short stacking energy: -302.569
Base-Backbone interact. energy: -2.149
local terms energy: -301.947544
where:
bonds (distance) C4'-P energy: -50.976
bonds (distance) P-C4' energy: -56.133
flat angles C4'-P-C4' energy: -63.788
flat angles P-C4'-P energy: -39.939
tors. eta vs tors. theta energy: -91.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -929.528418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.528418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.528418 (E_RNA)
where:
Base-Base interactions energy: -648.876
where: short stacking energy: -285.493
Base-Backbone interact. energy: 0.225
local terms energy: -280.876917
where:
bonds (distance) C4'-P energy: -45.306
bonds (distance) P-C4' energy: -52.892
flat angles C4'-P-C4' energy: -50.013
flat angles P-C4'-P energy: -46.100
tors. eta vs tors. theta energy: -86.567
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: 8
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -910.113405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.113405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.113405 (E_RNA)
where:
Base-Base interactions energy: -612.072
where: short stacking energy: -262.467
Base-Backbone interact. energy: -0.921
local terms energy: -297.119888
where:
bonds (distance) C4'-P energy: -56.586
bonds (distance) P-C4' energy: -58.332
flat angles C4'-P-C4' energy: -58.646
flat angles P-C4'-P energy: -43.208
tors. eta vs tors. theta energy: -80.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -828.739485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.739485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.739485 (E_RNA)
where:
Base-Base interactions energy: -577.313
where: short stacking energy: -240.549
Base-Backbone interact. energy: 1.204
local terms energy: -252.630308
where:
bonds (distance) C4'-P energy: -46.189
bonds (distance) P-C4' energy: -55.583
flat angles C4'-P-C4' energy: -52.035
flat angles P-C4'-P energy: -27.835
tors. eta vs tors. theta energy: -70.988
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: 7
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -817.809826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.809826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.809826 (E_RNA)
where:
Base-Base interactions energy: -564.926
where: short stacking energy: -241.447
Base-Backbone interact. energy: -0.569
local terms energy: -252.314607
where:
bonds (distance) C4'-P energy: -54.025
bonds (distance) P-C4' energy: -48.197
flat angles C4'-P-C4' energy: -51.870
flat angles P-C4'-P energy: -31.851
tors. eta vs tors. theta energy: -66.372
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: 10
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -791.848123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.848123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.848123 (E_RNA)
where:
Base-Base interactions energy: -557.520
where: short stacking energy: -232.704
Base-Backbone interact. energy: -0.732
local terms energy: -233.595877
where:
bonds (distance) C4'-P energy: -36.905
bonds (distance) P-C4' energy: -41.380
flat angles C4'-P-C4' energy: -51.847
flat angles P-C4'-P energy: -36.265
tors. eta vs tors. theta energy: -67.199
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: 5
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -715.418631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.418631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.418631 (E_RNA)
where:
Base-Base interactions energy: -492.079
where: short stacking energy: -210.587
Base-Backbone interact. energy: -1.259
local terms energy: -222.080106
where:
bonds (distance) C4'-P energy: -48.830
bonds (distance) P-C4' energy: -45.667
flat angles C4'-P-C4' energy: -44.488
flat angles P-C4'-P energy: -23.209
tors. eta vs tors. theta energy: -59.886
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: 3
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -654.688980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.688980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.688980 (E_RNA)
where:
Base-Base interactions energy: -440.834
where: short stacking energy: -185.454
Base-Backbone interact. energy: -2.202
local terms energy: -211.652986
where:
bonds (distance) C4'-P energy: -42.536
bonds (distance) P-C4' energy: -43.977
flat angles C4'-P-C4' energy: -48.407
flat angles P-C4'-P energy: -31.284
tors. eta vs tors. theta energy: -45.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -486.568098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.568098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.568098 (E_RNA)
where:
Base-Base interactions energy: -287.457
where: short stacking energy: -132.132
Base-Backbone interact. energy: 1.049
local terms energy: -200.159994
where:
bonds (distance) C4'-P energy: -46.836
bonds (distance) P-C4' energy: -46.825
flat angles C4'-P-C4' energy: -46.107
flat angles P-C4'-P energy: -25.016
tors. eta vs tors. theta energy: -35.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -294.695509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.695509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.695509 (E_RNA)
where:
Base-Base interactions energy: -151.699
where: short stacking energy: -72.146
Base-Backbone interact. energy: -2.488
local terms energy: -140.508549
where:
bonds (distance) C4'-P energy: -37.521
bonds (distance) P-C4' energy: -43.855
flat angles C4'-P-C4' energy: -45.124
flat angles P-C4'-P energy: -13.275
tors. eta vs tors. theta energy: -0.734
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: 1, replica: 1
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -952.713009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.713009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.713009 (E_RNA)
where:
Base-Base interactions energy: -645.202
where: short stacking energy: -280.828
Base-Backbone interact. energy: -1.823
local terms energy: -305.688073
where:
bonds (distance) C4'-P energy: -53.628
bonds (distance) P-C4' energy: -58.362
flat angles C4'-P-C4' energy: -65.155
flat angles P-C4'-P energy: -40.388
tors. eta vs tors. theta energy: -88.155
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: 2
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -933.939486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.939486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.939486 (E_RNA)
where:
Base-Base interactions energy: -638.050
where: short stacking energy: -281.576
Base-Backbone interact. energy: -1.065
local terms energy: -294.824958
where:
bonds (distance) C4'-P energy: -48.837
bonds (distance) P-C4' energy: -53.728
flat angles C4'-P-C4' energy: -62.968
flat angles P-C4'-P energy: -42.038
tors. eta vs tors. theta energy: -87.254
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: 3, replica: 8
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -919.828443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.828443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.828443 (E_RNA)
where:
Base-Base interactions energy: -639.853
where: short stacking energy: -256.192
Base-Backbone interact. energy: -1.374
local terms energy: -278.602113
where:
bonds (distance) C4'-P energy: -55.437
bonds (distance) P-C4' energy: -52.617
flat angles C4'-P-C4' energy: -58.432
flat angles P-C4'-P energy: -34.338
tors. eta vs tors. theta energy: -77.779
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: 4
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -823.264089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.264089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.264089 (E_RNA)
where:
Base-Base interactions energy: -578.099
where: short stacking energy: -237.001
Base-Backbone interact. energy: -0.124
local terms energy: -245.041432
where:
bonds (distance) C4'-P energy: -48.907
bonds (distance) P-C4' energy: -56.962
flat angles C4'-P-C4' energy: -49.658
flat angles P-C4'-P energy: -27.880
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: 5, replica: 7
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -805.317116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.317116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.317116 (E_RNA)
where:
Base-Base interactions energy: -553.866
where: short stacking energy: -241.589
Base-Backbone interact. energy: -0.866
local terms energy: -250.585521
where:
bonds (distance) C4'-P energy: -46.740
bonds (distance) P-C4' energy: -42.020
flat angles C4'-P-C4' energy: -52.005
flat angles P-C4'-P energy: -38.010
tors. eta vs tors. theta energy: -71.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -772.810460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.810460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.810460 (E_RNA)
where:
Base-Base interactions energy: -529.643
where: short stacking energy: -221.430
Base-Backbone interact. energy: 0.577
local terms energy: -243.744239
where:
bonds (distance) C4'-P energy: -43.430
bonds (distance) P-C4' energy: -49.041
flat angles C4'-P-C4' energy: -57.059
flat angles P-C4'-P energy: -30.336
tors. eta vs tors. theta energy: -63.878
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: 5
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -736.134320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.134320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.134320 (E_RNA)
where:
Base-Base interactions energy: -509.760
where: short stacking energy: -203.747
Base-Backbone interact. energy: -0.681
local terms energy: -225.693107
where:
bonds (distance) C4'-P energy: -46.915
bonds (distance) P-C4' energy: -53.029
flat angles C4'-P-C4' energy: -50.468
flat angles P-C4'-P energy: -25.054
tors. eta vs tors. theta energy: -50.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -654.115970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.115970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.115970 (E_RNA)
where:
Base-Base interactions energy: -456.345
where: short stacking energy: -199.608
Base-Backbone interact. energy: -1.052
local terms energy: -196.718752
where:
bonds (distance) C4'-P energy: -38.309
bonds (distance) P-C4' energy: -39.616
flat angles C4'-P-C4' energy: -39.120
flat angles P-C4'-P energy: -35.755
tors. eta vs tors. theta energy: -43.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -507.908997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.908997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.908997 (E_RNA)
where:
Base-Base interactions energy: -331.016
where: short stacking energy: -149.192
Base-Backbone interact. energy: -0.807
local terms energy: -176.086200
where:
bonds (distance) C4'-P energy: -34.606
bonds (distance) P-C4' energy: -39.949
flat angles C4'-P-C4' energy: -43.128
flat angles P-C4'-P energy: -22.890
tors. eta vs tors. theta energy: -35.513
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: 6
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -313.347127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.347127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.347127 (E_RNA)
where:
Base-Base interactions energy: -172.703
where: short stacking energy: -79.727
Base-Backbone interact. energy: 3.496
local terms energy: -144.140395
where:
bonds (distance) C4'-P energy: -38.525
bonds (distance) P-C4' energy: -53.191
flat angles C4'-P-C4' energy: -35.805
flat angles P-C4'-P energy: -23.558
tors. eta vs tors. theta energy: 6.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -967.876391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.876391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.876391 (E_RNA)
where:
Base-Base interactions energy: -658.939
where: short stacking energy: -297.342
Base-Backbone interact. energy: -0.747
local terms energy: -308.190272
where:
bonds (distance) C4'-P energy: -58.157
bonds (distance) P-C4' energy: -50.773
flat angles C4'-P-C4' energy: -64.253
flat angles P-C4'-P energy: -47.893
tors. eta vs tors. theta energy: -87.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -926.518055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.518055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.518055 (E_RNA)
where:
Base-Base interactions energy: -643.308
where: short stacking energy: -270.922
Base-Backbone interact. energy: 0.056
local terms energy: -283.266361
where:
bonds (distance) C4'-P energy: -59.178
bonds (distance) P-C4' energy: -49.007
flat angles C4'-P-C4' energy: -52.852
flat angles P-C4'-P energy: -36.716
tors. eta vs tors. theta energy: -85.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -903.992743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.992743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.992743 (E_RNA)
where:
Base-Base interactions energy: -637.434
where: short stacking energy: -256.278
Base-Backbone interact. energy: -1.365
local terms energy: -265.193564
where:
bonds (distance) C4'-P energy: -43.477
bonds (distance) P-C4' energy: -59.124
flat angles C4'-P-C4' energy: -55.899
flat angles P-C4'-P energy: -26.427
tors. eta vs tors. theta energy: -80.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -815.869830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.869830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.869830 (E_RNA)
where:
Base-Base interactions energy: -559.408
where: short stacking energy: -225.397
Base-Backbone interact. energy: -2.004
local terms energy: -254.457236
where:
bonds (distance) C4'-P energy: -53.278
bonds (distance) P-C4' energy: -53.921
flat angles C4'-P-C4' energy: -55.214
flat angles P-C4'-P energy: -36.926
tors. eta vs tors. theta energy: -55.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -827.955154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.955154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.955154 (E_RNA)
where:
Base-Base interactions energy: -558.444
where: short stacking energy: -242.975
Base-Backbone interact. energy: 0.076
local terms energy: -269.586946
where:
bonds (distance) C4'-P energy: -46.840
bonds (distance) P-C4' energy: -47.744
flat angles C4'-P-C4' energy: -63.191
flat angles P-C4'-P energy: -36.674
tors. eta vs tors. theta energy: -75.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -783.205102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.205102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.205102 (E_RNA)
where:
Base-Base interactions energy: -552.734
where: short stacking energy: -230.511
Base-Backbone interact. energy: -1.162
local terms energy: -229.308564
where:
bonds (distance) C4'-P energy: -44.719
bonds (distance) P-C4' energy: -42.939
flat angles C4'-P-C4' energy: -47.287
flat angles P-C4'-P energy: -27.078
tors. eta vs tors. theta energy: -67.286
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: 5
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -724.431441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.431441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.431441 (E_RNA)
where:
Base-Base interactions energy: -512.616
where: short stacking energy: -201.351
Base-Backbone interact. energy: -0.626
local terms energy: -211.189520
where:
bonds (distance) C4'-P energy: -43.435
bonds (distance) P-C4' energy: -40.427
flat angles C4'-P-C4' energy: -44.746
flat angles P-C4'-P energy: -32.846
tors. eta vs tors. theta energy: -49.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -643.705957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.705957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.705957 (E_RNA)
where:
Base-Base interactions energy: -426.626
where: short stacking energy: -187.367
Base-Backbone interact. energy: -0.304
local terms energy: -216.775547
where:
bonds (distance) C4'-P energy: -48.068
bonds (distance) P-C4' energy: -45.867
flat angles C4'-P-C4' energy: -51.159
flat angles P-C4'-P energy: -24.740
tors. eta vs tors. theta energy: -46.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -572.854982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.854982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.854982 (E_RNA)
where:
Base-Base interactions energy: -361.962
where: short stacking energy: -156.434
Base-Backbone interact. energy: -0.529
local terms energy: -210.364015
where:
bonds (distance) C4'-P energy: -52.976
bonds (distance) P-C4' energy: -41.177
flat angles C4'-P-C4' energy: -48.121
flat angles P-C4'-P energy: -32.630
tors. eta vs tors. theta energy: -35.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -307.747030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.747030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.747030 (E_RNA)
where:
Base-Base interactions energy: -138.221
where: short stacking energy: -89.366
Base-Backbone interact. energy: -0.552
local terms energy: -168.973486
where:
bonds (distance) C4'-P energy: -46.231
bonds (distance) P-C4' energy: -50.381
flat angles C4'-P-C4' energy: -40.190
flat angles P-C4'-P energy: -22.257
tors. eta vs tors. theta energy: -9.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -952.539705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.539705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.539705 (E_RNA)
where:
Base-Base interactions energy: -660.907
where: short stacking energy: -294.463
Base-Backbone interact. energy: -0.816
local terms energy: -290.817153
where:
bonds (distance) C4'-P energy: -51.800
bonds (distance) P-C4' energy: -43.385
flat angles C4'-P-C4' energy: -59.428
flat angles P-C4'-P energy: -42.927
tors. eta vs tors. theta energy: -93.278
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: 8
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -922.494236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.494236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.494236 (E_RNA)
where:
Base-Base interactions energy: -630.186
where: short stacking energy: -258.675
Base-Backbone interact. energy: 1.261
local terms energy: -293.569005
where:
bonds (distance) C4'-P energy: -55.814
bonds (distance) P-C4' energy: -46.978
flat angles C4'-P-C4' energy: -62.575
flat angles P-C4'-P energy: -45.767
tors. eta vs tors. theta energy: -82.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -902.399335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.399335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.399335 (E_RNA)
where:
Base-Base interactions energy: -635.096
where: short stacking energy: -270.483
Base-Backbone interact. energy: -1.383
local terms energy: -265.920152
where:
bonds (distance) C4'-P energy: -48.275
bonds (distance) P-C4' energy: -54.922
flat angles C4'-P-C4' energy: -59.515
flat angles P-C4'-P energy: -28.996
tors. eta vs tors. theta energy: -74.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -837.353264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.353264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.353264 (E_RNA)
where:
Base-Base interactions energy: -562.103
where: short stacking energy: -240.020
Base-Backbone interact. energy: -0.546
local terms energy: -274.704962
where:
bonds (distance) C4'-P energy: -55.316
bonds (distance) P-C4' energy: -62.252
flat angles C4'-P-C4' energy: -56.497
flat angles P-C4'-P energy: -35.703
tors. eta vs tors. theta energy: -64.937
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: 7
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -834.448884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.448884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.448884 (E_RNA)
where:
Base-Base interactions energy: -572.477
where: short stacking energy: -248.041
Base-Backbone interact. energy: -0.453
local terms energy: -261.519357
where:
bonds (distance) C4'-P energy: -42.904
bonds (distance) P-C4' energy: -47.525
flat angles C4'-P-C4' energy: -49.993
flat angles P-C4'-P energy: -42.909
tors. eta vs tors. theta energy: -78.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -758.898401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.898401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.898401 (E_RNA)
where:
Base-Base interactions energy: -520.912
where: short stacking energy: -224.697
Base-Backbone interact. energy: -0.693
local terms energy: -237.293424
where:
bonds (distance) C4'-P energy: -46.999
bonds (distance) P-C4' energy: -43.231
flat angles C4'-P-C4' energy: -52.346
flat angles P-C4'-P energy: -37.040
tors. eta vs tors. theta energy: -57.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -729.853215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.853215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.853215 (E_RNA)
where:
Base-Base interactions energy: -505.960
where: short stacking energy: -196.844
Base-Backbone interact. energy: -1.176
local terms energy: -222.717701
where:
bonds (distance) C4'-P energy: -44.149
bonds (distance) P-C4' energy: -52.285
flat angles C4'-P-C4' energy: -39.540
flat angles P-C4'-P energy: -31.326
tors. eta vs tors. theta energy: -55.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -648.287922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.287922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.287922 (E_RNA)
where:
Base-Base interactions energy: -443.132
where: short stacking energy: -188.543
Base-Backbone interact. energy: 3.777
local terms energy: -208.932234
where:
bonds (distance) C4'-P energy: -41.791
bonds (distance) P-C4' energy: -39.769
flat angles C4'-P-C4' energy: -51.122
flat angles P-C4'-P energy: -30.708
tors. eta vs tors. theta energy: -45.541
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: 394
Temperature: 1.300000
Total energy: -551.158991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.158991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.158991 (E_RNA)
where:
Base-Base interactions energy: -364.794
where: short stacking energy: -160.850
Base-Backbone interact. energy: -0.072
local terms energy: -186.292658
where:
bonds (distance) C4'-P energy: -34.346
bonds (distance) P-C4' energy: -47.659
flat angles C4'-P-C4' energy: -47.022
flat angles P-C4'-P energy: -26.311
tors. eta vs tors. theta energy: -30.956
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: 6
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -292.830222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.830222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.830222 (E_RNA)
where:
Base-Base interactions energy: -145.908
where: short stacking energy: -88.412
Base-Backbone interact. energy: 0.289
local terms energy: -147.210674
where:
bonds (distance) C4'-P energy: -38.689
bonds (distance) P-C4' energy: -55.986
flat angles C4'-P-C4' energy: -27.502
flat angles P-C4'-P energy: -19.281
tors. eta vs tors. theta energy: -5.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -957.393529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.393529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.393529 (E_RNA)
where:
Base-Base interactions energy: -646.917
where: short stacking energy: -297.206
Base-Backbone interact. energy: -0.976
local terms energy: -309.500744
where:
bonds (distance) C4'-P energy: -51.763
bonds (distance) P-C4' energy: -53.865
flat angles C4'-P-C4' energy: -60.957
flat angles P-C4'-P energy: -47.330
tors. eta vs tors. theta energy: -95.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -909.141418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.141418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.141418 (E_RNA)
where:
Base-Base interactions energy: -645.319
where: short stacking energy: -266.512
Base-Backbone interact. energy: 1.100
local terms energy: -264.922490
where:
bonds (distance) C4'-P energy: -43.056
bonds (distance) P-C4' energy: -47.288
flat angles C4'-P-C4' energy: -59.600
flat angles P-C4'-P energy: -43.410
tors. eta vs tors. theta energy: -71.568
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: 8
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -895.832867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.832867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.832867 (E_RNA)
where:
Base-Base interactions energy: -625.295
where: short stacking energy: -268.581
Base-Backbone interact. energy: -1.733
local terms energy: -268.805328
where:
bonds (distance) C4'-P energy: -48.522
bonds (distance) P-C4' energy: -58.137
flat angles C4'-P-C4' energy: -51.531
flat angles P-C4'-P energy: -34.282
tors. eta vs tors. theta energy: -76.333
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: 395
Temperature: 1.050000
Total energy: -828.160992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.160992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.160992 (E_RNA)
where:
Base-Base interactions energy: -576.444
where: short stacking energy: -236.951
Base-Backbone interact. energy: -0.630
local terms energy: -251.086880
where:
bonds (distance) C4'-P energy: -42.352
bonds (distance) P-C4' energy: -59.907
flat angles C4'-P-C4' energy: -42.259
flat angles P-C4'-P energy: -40.516
tors. eta vs tors. theta energy: -66.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -817.714181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.714181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.714181 (E_RNA)
where:
Base-Base interactions energy: -564.160
where: short stacking energy: -236.537
Base-Backbone interact. energy: -1.076
local terms energy: -252.478293
where:
bonds (distance) C4'-P energy: -51.444
bonds (distance) P-C4' energy: -54.190
flat angles C4'-P-C4' energy: -50.371
flat angles P-C4'-P energy: -30.056
tors. eta vs tors. theta energy: -66.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -737.625335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.625335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.625335 (E_RNA)
where:
Base-Base interactions energy: -503.647
where: short stacking energy: -212.908
Base-Backbone interact. energy: 2.021
local terms energy: -235.999342
where:
bonds (distance) C4'-P energy: -40.493
bonds (distance) P-C4' energy: -48.794
flat angles C4'-P-C4' energy: -55.409
flat angles P-C4'-P energy: -33.102
tors. eta vs tors. theta energy: -58.201
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: 10
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -758.466889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.466889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.466889 (E_RNA)
where:
Base-Base interactions energy: -537.270
where: short stacking energy: -209.904
Base-Backbone interact. energy: 0.328
local terms energy: -221.525110
where:
bonds (distance) C4'-P energy: -48.645
bonds (distance) P-C4' energy: -39.281
flat angles C4'-P-C4' energy: -40.783
flat angles P-C4'-P energy: -34.194
tors. eta vs tors. theta energy: -58.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -611.182486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.182486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.182486 (E_RNA)
where:
Base-Base interactions energy: -399.716
where: short stacking energy: -164.418
Base-Backbone interact. energy: -0.556
local terms energy: -210.909624
where:
bonds (distance) C4'-P energy: -39.936
bonds (distance) P-C4' energy: -48.065
flat angles C4'-P-C4' energy: -57.257
flat angles P-C4'-P energy: -22.755
tors. eta vs tors. theta energy: -42.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -539.530528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.530528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.530528 (E_RNA)
where:
Base-Base interactions energy: -353.093
where: short stacking energy: -149.532
Base-Backbone interact. energy: -0.482
local terms energy: -185.956325
where:
bonds (distance) C4'-P energy: -43.670
bonds (distance) P-C4' energy: -43.720
flat angles C4'-P-C4' energy: -54.891
flat angles P-C4'-P energy: -24.154
tors. eta vs tors. theta energy: -19.522
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: 10, replica: 6
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -281.041025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.041025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.041025 (E_RNA)
where:
Base-Base interactions energy: -129.937
where: short stacking energy: -71.933
Base-Backbone interact. energy: 2.511
local terms energy: -153.615421
where:
bonds (distance) C4'-P energy: -43.935
bonds (distance) P-C4' energy: -43.150
flat angles C4'-P-C4' energy: -42.471
flat angles P-C4'-P energy: -21.987
tors. eta vs tors. theta energy: -2.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -964.187317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.187317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.187317 (E_RNA)
where:
Base-Base interactions energy: -661.092
where: short stacking energy: -290.043
Base-Backbone interact. energy: -1.216
local terms energy: -301.878783
where:
bonds (distance) C4'-P energy: -53.202
bonds (distance) P-C4' energy: -56.528
flat angles C4'-P-C4' energy: -59.540
flat angles P-C4'-P energy: -40.998
tors. eta vs tors. theta energy: -91.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -909.211172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.211172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.211172 (E_RNA)
where:
Base-Base interactions energy: -634.274
where: short stacking energy: -267.631
Base-Backbone interact. energy: -0.632
local terms energy: -274.305396
where:
bonds (distance) C4'-P energy: -54.832
bonds (distance) P-C4' energy: -56.251
flat angles C4'-P-C4' energy: -44.489
flat angles P-C4'-P energy: -41.175
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: 4
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -841.587481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.587481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.587481 (E_RNA)
where:
Base-Base interactions energy: -571.011
where: short stacking energy: -246.068
Base-Backbone interact. energy: -0.387
local terms energy: -270.189415
where:
bonds (distance) C4'-P energy: -49.636
bonds (distance) P-C4' energy: -48.790
flat angles C4'-P-C4' energy: -59.583
flat angles P-C4'-P energy: -44.677
tors. eta vs tors. theta energy: -67.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -868.366353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.366353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.366353 (E_RNA)
where:
Base-Base interactions energy: -596.076
where: short stacking energy: -256.019
Base-Backbone interact. energy: -1.151
local terms energy: -271.139392
where:
bonds (distance) C4'-P energy: -54.124
bonds (distance) P-C4' energy: -51.520
flat angles C4'-P-C4' energy: -51.904
flat angles P-C4'-P energy: -37.464
tors. eta vs tors. theta energy: -76.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -817.403642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.403642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.403642 (E_RNA)
where:
Base-Base interactions energy: -565.592
where: short stacking energy: -242.567
Base-Backbone interact. energy: -0.612
local terms energy: -251.200024
where:
bonds (distance) C4'-P energy: -52.479
bonds (distance) P-C4' energy: -41.218
flat angles C4'-P-C4' energy: -49.762
flat angles P-C4'-P energy: -38.882
tors. eta vs tors. theta energy: -68.859
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: 5
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -730.109921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.109921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.109921 (E_RNA)
where:
Base-Base interactions energy: -508.567
where: short stacking energy: -211.629
Base-Backbone interact. energy: -0.830
local terms energy: -220.713380
where:
bonds (distance) C4'-P energy: -48.873
bonds (distance) P-C4' energy: -37.996
flat angles C4'-P-C4' energy: -56.183
flat angles P-C4'-P energy: -35.230
tors. eta vs tors. theta energy: -42.431
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: 10
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -765.328619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.328619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.328619 (E_RNA)
where:
Base-Base interactions energy: -523.223
where: short stacking energy: -222.899
Base-Backbone interact. energy: -1.169
local terms energy: -240.937075
where:
bonds (distance) C4'-P energy: -44.018
bonds (distance) P-C4' energy: -48.427
flat angles C4'-P-C4' energy: -50.261
flat angles P-C4'-P energy: -29.983
tors. eta vs tors. theta energy: -68.249
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: 3
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -623.273270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.273270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.273270 (E_RNA)
where:
Base-Base interactions energy: -426.958
where: short stacking energy: -170.761
Base-Backbone interact. energy: 0.369
local terms energy: -196.684373
where:
bonds (distance) C4'-P energy: -49.623
bonds (distance) P-C4' energy: -47.188
flat angles C4'-P-C4' energy: -40.761
flat angles P-C4'-P energy: -21.684
tors. eta vs tors. theta energy: -37.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -525.729655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.729655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.729655 (E_RNA)
where:
Base-Base interactions energy: -352.274
where: short stacking energy: -162.234
Base-Backbone interact. energy: 2.708
local terms energy: -176.164016
where:
bonds (distance) C4'-P energy: -45.642
bonds (distance) P-C4' energy: -39.675
flat angles C4'-P-C4' energy: -37.451
flat angles P-C4'-P energy: -26.995
tors. eta vs tors. theta energy: -26.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -235.753181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.753181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.753181 (E_RNA)
where:
Base-Base interactions energy: -102.323
where: short stacking energy: -70.545
Base-Backbone interact. energy: -1.675
local terms energy: -131.755082
where:
bonds (distance) C4'-P energy: -38.648
bonds (distance) P-C4' energy: -40.466
flat angles C4'-P-C4' energy: -36.561
flat angles P-C4'-P energy: -19.167
tors. eta vs tors. theta energy: 3.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -958.936375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.936375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.936375 (E_RNA)
where:
Base-Base interactions energy: -649.818
where: short stacking energy: -276.661
Base-Backbone interact. energy: -0.583
local terms energy: -308.535620
where:
bonds (distance) C4'-P energy: -51.161
bonds (distance) P-C4' energy: -59.776
flat angles C4'-P-C4' energy: -64.005
flat angles P-C4'-P energy: -43.194
tors. eta vs tors. theta energy: -90.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -926.532366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.532366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.532366 (E_RNA)
where:
Base-Base interactions energy: -631.750
where: short stacking energy: -264.887
Base-Backbone interact. energy: -1.266
local terms energy: -293.516656
where:
bonds (distance) C4'-P energy: -51.328
bonds (distance) P-C4' energy: -59.556
flat angles C4'-P-C4' energy: -58.071
flat angles P-C4'-P energy: -41.396
tors. eta vs tors. theta energy: -83.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -845.959486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.959486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.959486 (E_RNA)
where:
Base-Base interactions energy: -583.876
where: short stacking energy: -250.496
Base-Backbone interact. energy: -0.039
local terms energy: -262.044161
where:
bonds (distance) C4'-P energy: -49.108
bonds (distance) P-C4' energy: -54.263
flat angles C4'-P-C4' energy: -54.353
flat angles P-C4'-P energy: -36.255
tors. eta vs tors. theta energy: -68.065
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: 8
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -895.569708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.569708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.569708 (E_RNA)
where:
Base-Base interactions energy: -614.907
where: short stacking energy: -264.171
Base-Backbone interact. energy: -1.386
local terms energy: -279.276497
where:
bonds (distance) C4'-P energy: -45.181
bonds (distance) P-C4' energy: -48.263
flat angles C4'-P-C4' energy: -61.252
flat angles P-C4'-P energy: -42.566
tors. eta vs tors. theta energy: -82.013
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: 397
Temperature: 1.100000
Total energy: -819.069962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.069962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.069962 (E_RNA)
where:
Base-Base interactions energy: -565.500
where: short stacking energy: -233.567
Base-Backbone interact. energy: -0.616
local terms energy: -252.953683
where:
bonds (distance) C4'-P energy: -48.069
bonds (distance) P-C4' energy: -52.201
flat angles C4'-P-C4' energy: -46.390
flat angles P-C4'-P energy: -35.654
tors. eta vs tors. theta energy: -70.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -770.609051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.609051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.609051 (E_RNA)
where:
Base-Base interactions energy: -528.600
where: short stacking energy: -215.395
Base-Backbone interact. energy: -0.911
local terms energy: -241.097252
where:
bonds (distance) C4'-P energy: -44.072
bonds (distance) P-C4' energy: -52.264
flat angles C4'-P-C4' energy: -60.818
flat angles P-C4'-P energy: -33.554
tors. eta vs tors. theta energy: -50.389
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: 5
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -708.091013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.091013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.091013 (E_RNA)
where:
Base-Base interactions energy: -477.753
where: short stacking energy: -190.648
Base-Backbone interact. energy: -0.628
local terms energy: -229.709622
where:
bonds (distance) C4'-P energy: -43.344
bonds (distance) P-C4' energy: -53.675
flat angles C4'-P-C4' energy: -58.769
flat angles P-C4'-P energy: -25.281
tors. eta vs tors. theta energy: -48.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -629.147069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.147069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.147069 (E_RNA)
where:
Base-Base interactions energy: -420.915
where: short stacking energy: -186.332
Base-Backbone interact. energy: -0.680
local terms energy: -207.552360
where:
bonds (distance) C4'-P energy: -39.945
bonds (distance) P-C4' energy: -44.084
flat angles C4'-P-C4' energy: -55.527
flat angles P-C4'-P energy: -25.257
tors. eta vs tors. theta energy: -42.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -518.044797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.044797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.044797 (E_RNA)
where:
Base-Base interactions energy: -320.019
where: short stacking energy: -143.071
Base-Backbone interact. energy: -3.141
local terms energy: -194.884863
where:
bonds (distance) C4'-P energy: -52.878
bonds (distance) P-C4' energy: -44.015
flat angles C4'-P-C4' energy: -45.130
flat angles P-C4'-P energy: -22.745
tors. eta vs tors. theta energy: -30.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -217.621075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.621075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.621075 (E_RNA)
where:
Base-Base interactions energy: -77.581
where: short stacking energy: -73.971
Base-Backbone interact. energy: -0.524
local terms energy: -139.515842
where:
bonds (distance) C4'-P energy: -42.910
bonds (distance) P-C4' energy: -41.643
flat angles C4'-P-C4' energy: -41.924
flat angles P-C4'-P energy: -21.565
tors. eta vs tors. theta energy: 8.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -949.566895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.566895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.566895 (E_RNA)
where:
Base-Base interactions energy: -663.323
where: short stacking energy: -269.664
Base-Backbone interact. energy: -1.325
local terms energy: -284.918993
where:
bonds (distance) C4'-P energy: -49.457
bonds (distance) P-C4' energy: -52.887
flat angles C4'-P-C4' energy: -62.477
flat angles P-C4'-P energy: -45.681
tors. eta vs tors. theta energy: -74.416
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: 398
Temperature: 0.950000
Total energy: -936.447608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.447608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.447608 (E_RNA)
where:
Base-Base interactions energy: -640.178
where: short stacking energy: -277.971
Base-Backbone interact. energy: -0.886
local terms energy: -295.384158
where:
bonds (distance) C4'-P energy: -59.144
bonds (distance) P-C4' energy: -52.211
flat angles C4'-P-C4' energy: -59.179
flat angles P-C4'-P energy: -45.036
tors. eta vs tors. theta energy: -79.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -900.977711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.977711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.977711 (E_RNA)
where:
Base-Base interactions energy: -629.376
where: short stacking energy: -249.692
Base-Backbone interact. energy: 2.154
local terms energy: -273.755984
where:
bonds (distance) C4'-P energy: -54.374
bonds (distance) P-C4' energy: -51.895
flat angles C4'-P-C4' energy: -53.659
flat angles P-C4'-P energy: -37.138
tors. eta vs tors. theta energy: -76.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -838.396908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.396908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.396908 (E_RNA)
where:
Base-Base interactions energy: -593.247
where: short stacking energy: -247.881
Base-Backbone interact. energy: 0.671
local terms energy: -245.821160
where:
bonds (distance) C4'-P energy: -46.252
bonds (distance) P-C4' energy: -32.323
flat angles C4'-P-C4' energy: -56.986
flat angles P-C4'-P energy: -42.401
tors. eta vs tors. theta energy: -67.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -819.064088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.064088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.064088 (E_RNA)
where:
Base-Base interactions energy: -563.151
where: short stacking energy: -231.636
Base-Backbone interact. energy: -2.191
local terms energy: -253.721735
where:
bonds (distance) C4'-P energy: -50.013
bonds (distance) P-C4' energy: -43.646
flat angles C4'-P-C4' energy: -64.303
flat angles P-C4'-P energy: -35.598
tors. eta vs tors. theta energy: -60.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -789.485491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.485491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.485491 (E_RNA)
where:
Base-Base interactions energy: -528.104
where: short stacking energy: -217.919
Base-Backbone interact. energy: 0.473
local terms energy: -261.854277
where:
bonds (distance) C4'-P energy: -58.771
bonds (distance) P-C4' energy: -53.686
flat angles C4'-P-C4' energy: -49.985
flat angles P-C4'-P energy: -38.122
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: 5
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -665.962865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.962865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.962865 (E_RNA)
where:
Base-Base interactions energy: -435.742
where: short stacking energy: -189.086
Base-Backbone interact. energy: 0.200
local terms energy: -230.420868
where:
bonds (distance) C4'-P energy: -48.501
bonds (distance) P-C4' energy: -40.297
flat angles C4'-P-C4' energy: -57.113
flat angles P-C4'-P energy: -34.121
tors. eta vs tors. theta energy: -50.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -621.681235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.681235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.681235 (E_RNA)
where:
Base-Base interactions energy: -430.619
where: short stacking energy: -177.631
Base-Backbone interact. energy: 2.725
local terms energy: -193.787828
where:
bonds (distance) C4'-P energy: -36.612
bonds (distance) P-C4' energy: -43.367
flat angles C4'-P-C4' energy: -45.080
flat angles P-C4'-P energy: -31.497
tors. eta vs tors. theta energy: -37.232
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: 398
Temperature: 1.300000
Total energy: -495.983414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.983414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.983414 (E_RNA)
where:
Base-Base interactions energy: -323.463
where: short stacking energy: -145.104
Base-Backbone interact. energy: -1.635
local terms energy: -170.885238
where:
bonds (distance) C4'-P energy: -38.703
bonds (distance) P-C4' energy: -46.916
flat angles C4'-P-C4' energy: -35.342
flat angles P-C4'-P energy: -26.594
tors. eta vs tors. theta energy: -23.331
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: 6
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -229.647799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.647799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.647799 (E_RNA)
where:
Base-Base interactions energy: -95.415
where: short stacking energy: -78.159
Base-Backbone interact. energy: 10.454
local terms energy: -144.687244
where:
bonds (distance) C4'-P energy: -43.978
bonds (distance) P-C4' energy: -50.284
flat angles C4'-P-C4' energy: -45.175
flat angles P-C4'-P energy: -7.812
tors. eta vs tors. theta energy: 2.562
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: 2
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -949.787299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.787299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.787299 (E_RNA)
where:
Base-Base interactions energy: -647.702
where: short stacking energy: -279.963
Base-Backbone interact. energy: -1.158
local terms energy: -300.927883
where:
bonds (distance) C4'-P energy: -51.579
bonds (distance) P-C4' energy: -54.223
flat angles C4'-P-C4' energy: -63.166
flat angles P-C4'-P energy: -45.116
tors. eta vs tors. theta energy: -86.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -949.237538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.237538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.237538 (E_RNA)
where:
Base-Base interactions energy: -642.894
where: short stacking energy: -280.915
Base-Backbone interact. energy: -1.768
local terms energy: -304.575191
where:
bonds (distance) C4'-P energy: -52.779
bonds (distance) P-C4' energy: -55.788
flat angles C4'-P-C4' energy: -65.026
flat angles P-C4'-P energy: -42.816
tors. eta vs tors. theta energy: -88.166
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: 8
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -890.124083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.124083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.124083 (E_RNA)
where:
Base-Base interactions energy: -622.548
where: short stacking energy: -262.128
Base-Backbone interact. energy: -1.136
local terms energy: -266.439680
where:
bonds (distance) C4'-P energy: -53.486
bonds (distance) P-C4' energy: -45.872
flat angles C4'-P-C4' energy: -60.097
flat angles P-C4'-P energy: -30.143
tors. eta vs tors. theta energy: -76.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -810.628375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.628375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.628375 (E_RNA)
where:
Base-Base interactions energy: -539.706
where: short stacking energy: -230.353
Base-Backbone interact. energy: 1.923
local terms energy: -272.845772
where:
bonds (distance) C4'-P energy: -59.749
bonds (distance) P-C4' energy: -50.378
flat angles C4'-P-C4' energy: -53.355
flat angles P-C4'-P energy: -41.904
tors. eta vs tors. theta energy: -67.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -787.274439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.274439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.274439 (E_RNA)
where:
Base-Base interactions energy: -549.076
where: short stacking energy: -225.973
Base-Backbone interact. energy: 7.682
local terms energy: -245.880366
where:
bonds (distance) C4'-P energy: -38.991
bonds (distance) P-C4' energy: -47.860
flat angles C4'-P-C4' energy: -59.429
flat angles P-C4'-P energy: -29.997
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: 6, replica: 7
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -777.642055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.642055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.642055 (E_RNA)
where:
Base-Base interactions energy: -548.719
where: short stacking energy: -225.267
Base-Backbone interact. energy: -0.568
local terms energy: -228.354994
where:
bonds (distance) C4'-P energy: -35.792
bonds (distance) P-C4' energy: -49.634
flat angles C4'-P-C4' energy: -50.472
flat angles P-C4'-P energy: -32.810
tors. eta vs tors. theta energy: -59.647
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: 7, replica: 5
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -656.962885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.962885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.962885 (E_RNA)
where:
Base-Base interactions energy: -430.884
where: short stacking energy: -177.906
Base-Backbone interact. energy: 1.005
local terms energy: -227.083201
where:
bonds (distance) C4'-P energy: -48.051
bonds (distance) P-C4' energy: -53.233
flat angles C4'-P-C4' energy: -56.978
flat angles P-C4'-P energy: -22.104
tors. eta vs tors. theta energy: -46.718
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: 3
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -631.169440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.169440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.169440 (E_RNA)
where:
Base-Base interactions energy: -408.338
where: short stacking energy: -163.370
Base-Backbone interact. energy: -0.005
local terms energy: -222.826500
where:
bonds (distance) C4'-P energy: -49.331
bonds (distance) P-C4' energy: -50.681
flat angles C4'-P-C4' energy: -53.520
flat angles P-C4'-P energy: -27.095
tors. eta vs tors. theta energy: -42.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -494.598342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.598342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.598342 (E_RNA)
where:
Base-Base interactions energy: -328.243
where: short stacking energy: -135.823
Base-Backbone interact. energy: -0.938
local terms energy: -165.417663
where:
bonds (distance) C4'-P energy: -34.058
bonds (distance) P-C4' energy: -45.694
flat angles C4'-P-C4' energy: -39.650
flat angles P-C4'-P energy: -27.671
tors. eta vs tors. theta energy: -18.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -226.736470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.736470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.736470 (E_RNA)
where:
Base-Base interactions energy: -86.653
where: short stacking energy: -65.623
Base-Backbone interact. energy: -1.197
local terms energy: -138.886559
where:
bonds (distance) C4'-P energy: -51.080
bonds (distance) P-C4' energy: -46.875
flat angles C4'-P-C4' energy: -35.424
flat angles P-C4'-P energy: -15.424
tors. eta vs tors. theta energy: 9.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -950.329840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.329840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.329840 (E_RNA)
where:
Base-Base interactions energy: -650.954
where: short stacking energy: -277.976
Base-Backbone interact. energy: -0.302
local terms energy: -299.073831
where:
bonds (distance) C4'-P energy: -53.731
bonds (distance) P-C4' energy: -53.920
flat angles C4'-P-C4' energy: -60.510
flat angles P-C4'-P energy: -44.414
tors. eta vs tors. theta energy: -86.499
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: 2
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -936.246499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.246499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.246499 (E_RNA)
where:
Base-Base interactions energy: -643.875
where: short stacking energy: -276.124
Base-Backbone interact. energy: 0.520
local terms energy: -292.891364
where:
bonds (distance) C4'-P energy: -51.996
bonds (distance) P-C4' energy: -52.913
flat angles C4'-P-C4' energy: -63.800
flat angles P-C4'-P energy: -40.992
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: 3, replica: 4
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -832.138340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.138340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.138340 (E_RNA)
where:
Base-Base interactions energy: -574.582
where: short stacking energy: -241.775
Base-Backbone interact. energy: -0.475
local terms energy: -257.080739
where:
bonds (distance) C4'-P energy: -48.212
bonds (distance) P-C4' energy: -44.544
flat angles C4'-P-C4' energy: -56.454
flat angles P-C4'-P energy: -42.879
tors. eta vs tors. theta energy: -64.991
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: 8
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -849.997545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.997545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.997545 (E_RNA)
where:
Base-Base interactions energy: -571.286
where: short stacking energy: -254.593
Base-Backbone interact. energy: 1.430
local terms energy: -280.141797
where:
bonds (distance) C4'-P energy: -48.533
bonds (distance) P-C4' energy: -58.056
flat angles C4'-P-C4' energy: -58.402
flat angles P-C4'-P energy: -35.906
tors. eta vs tors. theta energy: -79.246
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: 5, replica: 10
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -804.517510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.517510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.517510 (E_RNA)
where:
Base-Base interactions energy: -555.139
where: short stacking energy: -230.682
Base-Backbone interact. energy: -1.351
local terms energy: -248.027768
where:
bonds (distance) C4'-P energy: -39.281
bonds (distance) P-C4' energy: -51.062
flat angles C4'-P-C4' energy: -55.792
flat angles P-C4'-P energy: -35.577
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: 6, replica: 7
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -769.911626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.911626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.911626 (E_RNA)
where:
Base-Base interactions energy: -529.383
where: short stacking energy: -219.470
Base-Backbone interact. energy: -0.899
local terms energy: -239.629471
where:
bonds (distance) C4'-P energy: -38.253
bonds (distance) P-C4' energy: -52.916
flat angles C4'-P-C4' energy: -55.205
flat angles P-C4'-P energy: -34.195
tors. eta vs tors. theta energy: -59.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -697.018353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.018353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.018353 (E_RNA)
where:
Base-Base interactions energy: -483.304
where: short stacking energy: -202.752
Base-Backbone interact. energy: -0.874
local terms energy: -212.840196
where:
bonds (distance) C4'-P energy: -31.596
bonds (distance) P-C4' energy: -44.260
flat angles C4'-P-C4' energy: -46.056
flat angles P-C4'-P energy: -32.035
tors. eta vs tors. theta energy: -58.892
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: 3
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -667.043052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.043052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.043052 (E_RNA)
where:
Base-Base interactions energy: -446.940
where: short stacking energy: -185.837
Base-Backbone interact. energy: -0.409
local terms energy: -219.693575
where:
bonds (distance) C4'-P energy: -39.701
bonds (distance) P-C4' energy: -48.192
flat angles C4'-P-C4' energy: -48.988
flat angles P-C4'-P energy: -40.030
tors. eta vs tors. theta energy: -42.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -521.420048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.420048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.420048 (E_RNA)
where:
Base-Base interactions energy: -329.665
where: short stacking energy: -152.739
Base-Backbone interact. energy: 0.155
local terms energy: -191.909450
where:
bonds (distance) C4'-P energy: -41.971
bonds (distance) P-C4' energy: -43.135
flat angles C4'-P-C4' energy: -46.389
flat angles P-C4'-P energy: -29.346
tors. eta vs tors. theta energy: -31.068
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: 6
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -221.771629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.771629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.771629 (E_RNA)
where:
Base-Base interactions energy: -82.723
where: short stacking energy: -64.019
Base-Backbone interact. energy: -0.747
local terms energy: -138.302130
where:
bonds (distance) C4'-P energy: -40.562
bonds (distance) P-C4' energy: -45.999
flat angles C4'-P-C4' energy: -33.148
flat angles P-C4'-P energy: -29.614
tors. eta vs tors. theta energy: 11.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -947.810163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.810163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.810163 (E_RNA)
where:
Base-Base interactions energy: -663.094
where: short stacking energy: -294.656
Base-Backbone interact. energy: 0.697
local terms energy: -285.413234
where:
bonds (distance) C4'-P energy: -49.301
bonds (distance) P-C4' energy: -55.115
flat angles C4'-P-C4' energy: -59.342
flat angles P-C4'-P energy: -34.452
tors. eta vs tors. theta energy: -87.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -937.733558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.733558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.733558 (E_RNA)
where:
Base-Base interactions energy: -651.780
where: short stacking energy: -274.697
Base-Backbone interact. energy: -0.999
local terms energy: -284.954968
where:
bonds (distance) C4'-P energy: -41.324
bonds (distance) P-C4' energy: -54.813
flat angles C4'-P-C4' energy: -60.052
flat angles P-C4'-P energy: -41.659
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: 3, replica: 4
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -846.347085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.347085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.347085 (E_RNA)
where:
Base-Base interactions energy: -583.577
where: short stacking energy: -243.722
Base-Backbone interact. energy: -0.665
local terms energy: -262.105707
where:
bonds (distance) C4'-P energy: -47.115
bonds (distance) P-C4' energy: -47.035
flat angles C4'-P-C4' energy: -61.089
flat angles P-C4'-P energy: -40.669
tors. eta vs tors. theta energy: -66.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -869.936073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.936073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.936073 (E_RNA)
where:
Base-Base interactions energy: -610.597
where: short stacking energy: -253.995
Base-Backbone interact. energy: 1.052
local terms energy: -260.391042
where:
bonds (distance) C4'-P energy: -46.981
bonds (distance) P-C4' energy: -46.043
flat angles C4'-P-C4' energy: -58.901
flat angles P-C4'-P energy: -34.256
tors. eta vs tors. theta energy: -74.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -808.909851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.909851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.909851 (E_RNA)
where:
Base-Base interactions energy: -549.335
where: short stacking energy: -221.846
Base-Backbone interact. energy: 0.107
local terms energy: -259.682349
where:
bonds (distance) C4'-P energy: -51.263
bonds (distance) P-C4' energy: -49.574
flat angles C4'-P-C4' energy: -54.845
flat angles P-C4'-P energy: -37.376
tors. eta vs tors. theta energy: -66.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -812.255385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.255385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.255385 (E_RNA)
where:
Base-Base interactions energy: -556.417
where: short stacking energy: -235.558
Base-Backbone interact. energy: -0.283
local terms energy: -255.555320
where:
bonds (distance) C4'-P energy: -50.797
bonds (distance) P-C4' energy: -53.299
flat angles C4'-P-C4' energy: -47.853
flat angles P-C4'-P energy: -38.164
tors. eta vs tors. theta energy: -65.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -752.730284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.730284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.730284 (E_RNA)
where:
Base-Base interactions energy: -533.414
where: short stacking energy: -209.923
Base-Backbone interact. energy: 0.361
local terms energy: -219.676926
where:
bonds (distance) C4'-P energy: -44.069
bonds (distance) P-C4' energy: -39.856
flat angles C4'-P-C4' energy: -47.954
flat angles P-C4'-P energy: -34.743
tors. eta vs tors. theta energy: -53.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -656.358278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.358278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.358278 (E_RNA)
where:
Base-Base interactions energy: -451.452
where: short stacking energy: -183.741
Base-Backbone interact. energy: -0.973
local terms energy: -203.932806
where:
bonds (distance) C4'-P energy: -39.273
bonds (distance) P-C4' energy: -40.703
flat angles C4'-P-C4' energy: -47.934
flat angles P-C4'-P energy: -33.311
tors. eta vs tors. theta energy: -42.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -549.834634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.834634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.834634 (E_RNA)
where:
Base-Base interactions energy: -361.773
where: short stacking energy: -162.377
Base-Backbone interact. energy: 0.788
local terms energy: -188.849440
where:
bonds (distance) C4'-P energy: -39.092
bonds (distance) P-C4' energy: -53.786
flat angles C4'-P-C4' energy: -41.075
flat angles P-C4'-P energy: -24.283
tors. eta vs tors. theta energy: -30.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -220.104047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.104047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.104047 (E_RNA)
where:
Base-Base interactions energy: -97.453
where: short stacking energy: -72.535
Base-Backbone interact. energy: -2.523
local terms energy: -120.128759
where:
bonds (distance) C4'-P energy: -29.111
bonds (distance) P-C4' energy: -47.382
flat angles C4'-P-C4' energy: -28.220
flat angles P-C4'-P energy: -21.414
tors. eta vs tors. theta energy: 5.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -952.786913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.786913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.786913 (E_RNA)
where:
Base-Base interactions energy: -648.702
where: short stacking energy: -285.220
Base-Backbone interact. energy: -0.594
local terms energy: -303.491316
where:
bonds (distance) C4'-P energy: -52.780
bonds (distance) P-C4' energy: -50.353
flat angles C4'-P-C4' energy: -65.573
flat angles P-C4'-P energy: -45.766
tors. eta vs tors. theta energy: -89.019
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: 2
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -923.926682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.926682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.926682 (E_RNA)
where:
Base-Base interactions energy: -634.167
where: short stacking energy: -271.716
Base-Backbone interact. energy: -1.384
local terms energy: -288.375973
where:
bonds (distance) C4'-P energy: -50.120
bonds (distance) P-C4' energy: -55.607
flat angles C4'-P-C4' energy: -61.439
flat angles P-C4'-P energy: -37.597
tors. eta vs tors. theta energy: -83.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -846.911273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.911273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.911273 (E_RNA)
where:
Base-Base interactions energy: -585.106
where: short stacking energy: -246.916
Base-Backbone interact. energy: 4.948
local terms energy: -266.752697
where:
bonds (distance) C4'-P energy: -53.912
bonds (distance) P-C4' energy: -53.796
flat angles C4'-P-C4' energy: -55.729
flat angles P-C4'-P energy: -37.547
tors. eta vs tors. theta energy: -65.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -847.098561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.098561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.098561 (E_RNA)
where:
Base-Base interactions energy: -593.834
where: short stacking energy: -242.172
Base-Backbone interact. energy: -0.643
local terms energy: -252.621577
where:
bonds (distance) C4'-P energy: -50.272
bonds (distance) P-C4' energy: -39.659
flat angles C4'-P-C4' energy: -58.714
flat angles P-C4'-P energy: -34.584
tors. eta vs tors. theta energy: -69.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -813.628210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.628210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.628210 (E_RNA)
where:
Base-Base interactions energy: -565.163
where: short stacking energy: -241.461
Base-Backbone interact. energy: 0.176
local terms energy: -248.641157
where:
bonds (distance) C4'-P energy: -43.775
bonds (distance) P-C4' energy: -46.188
flat angles C4'-P-C4' energy: -59.435
flat angles P-C4'-P energy: -37.710
tors. eta vs tors. theta energy: -61.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -801.085506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.085506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.085506 (E_RNA)
where:
Base-Base interactions energy: -558.267
where: short stacking energy: -240.628
Base-Backbone interact. energy: 0.576
local terms energy: -243.394610
where:
bonds (distance) C4'-P energy: -48.761
bonds (distance) P-C4' energy: -44.059
flat angles C4'-P-C4' energy: -49.571
flat angles P-C4'-P energy: -37.804
tors. eta vs tors. theta energy: -63.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -681.071282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.071282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.071282 (E_RNA)
where:
Base-Base interactions energy: -453.536
where: short stacking energy: -189.578
Base-Backbone interact. energy: -0.636
local terms energy: -226.898880
where:
bonds (distance) C4'-P energy: -44.708
bonds (distance) P-C4' energy: -52.154
flat angles C4'-P-C4' energy: -51.068
flat angles P-C4'-P energy: -38.618
tors. eta vs tors. theta energy: -40.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -716.326956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.326956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.326956 (E_RNA)
where:
Base-Base interactions energy: -501.632
where: short stacking energy: -209.170
Base-Backbone interact. energy: -0.564
local terms energy: -214.130325
where:
bonds (distance) C4'-P energy: -48.685
bonds (distance) P-C4' energy: -48.248
flat angles C4'-P-C4' energy: -37.473
flat angles P-C4'-P energy: -30.028
tors. eta vs tors. theta energy: -49.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -527.585850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.585850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.585850 (E_RNA)
where:
Base-Base interactions energy: -344.589
where: short stacking energy: -152.525
Base-Backbone interact. energy: -0.512
local terms energy: -182.484557
where:
bonds (distance) C4'-P energy: -43.741
bonds (distance) P-C4' energy: -40.703
flat angles C4'-P-C4' energy: -42.129
flat angles P-C4'-P energy: -22.381
tors. eta vs tors. theta energy: -33.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -237.882223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.882223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.882223 (E_RNA)
where:
Base-Base interactions energy: -89.762
where: short stacking energy: -72.332
Base-Backbone interact. energy: 1.522
local terms energy: -149.642198
where:
bonds (distance) C4'-P energy: -42.671
bonds (distance) P-C4' energy: -48.754
flat angles C4'-P-C4' energy: -36.532
flat angles P-C4'-P energy: -18.598
tors. eta vs tors. theta energy: -3.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -960.767259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.767259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.767259 (E_RNA)
where:
Base-Base interactions energy: -657.835
where: short stacking energy: -287.106
Base-Backbone interact. energy: -1.863
local terms energy: -301.068859
where:
bonds (distance) C4'-P energy: -55.869
bonds (distance) P-C4' energy: -54.319
flat angles C4'-P-C4' energy: -57.583
flat angles P-C4'-P energy: -45.607
tors. eta vs tors. theta energy: -87.691
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: 403
Temperature: 0.950000
Total energy: -941.607370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.607370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.607370 (E_RNA)
where:
Base-Base interactions energy: -646.331
where: short stacking energy: -280.768
Base-Backbone interact. energy: -1.156
local terms energy: -294.120246
where:
bonds (distance) C4'-P energy: -54.678
bonds (distance) P-C4' energy: -44.147
flat angles C4'-P-C4' energy: -62.420
flat angles P-C4'-P energy: -47.992
tors. eta vs tors. theta energy: -84.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -848.067805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.067805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.067805 (E_RNA)
where:
Base-Base interactions energy: -587.614
where: short stacking energy: -251.586
Base-Backbone interact. energy: 0.095
local terms energy: -260.548279
where:
bonds (distance) C4'-P energy: -44.996
bonds (distance) P-C4' energy: -45.131
flat angles C4'-P-C4' energy: -62.145
flat angles P-C4'-P energy: -40.078
tors. eta vs tors. theta energy: -68.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -862.730682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.730682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.730682 (E_RNA)
where:
Base-Base interactions energy: -606.891
where: short stacking energy: -269.607
Base-Backbone interact. energy: -0.123
local terms energy: -255.716486
where:
bonds (distance) C4'-P energy: -46.048
bonds (distance) P-C4' energy: -41.905
flat angles C4'-P-C4' energy: -59.794
flat angles P-C4'-P energy: -36.524
tors. eta vs tors. theta energy: -71.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -832.085976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.085976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.085976 (E_RNA)
where:
Base-Base interactions energy: -576.560
where: short stacking energy: -241.704
Base-Backbone interact. energy: -0.977
local terms energy: -254.549331
where:
bonds (distance) C4'-P energy: -51.430
bonds (distance) P-C4' energy: -45.956
flat angles C4'-P-C4' energy: -49.913
flat angles P-C4'-P energy: -34.793
tors. eta vs tors. theta energy: -72.457
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: 3
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -708.625384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.625384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.625384 (E_RNA)
where:
Base-Base interactions energy: -499.052
where: short stacking energy: -196.747
Base-Backbone interact. energy: -0.712
local terms energy: -208.861868
where:
bonds (distance) C4'-P energy: -43.041
bonds (distance) P-C4' energy: -43.755
flat angles C4'-P-C4' energy: -49.165
flat angles P-C4'-P energy: -26.324
tors. eta vs tors. theta energy: -46.578
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: 403
Temperature: 1.200000
Total energy: -770.481745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.481745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.481745 (E_RNA)
where:
Base-Base interactions energy: -531.178
where: short stacking energy: -234.830
Base-Backbone interact. energy: -1.438
local terms energy: -237.865566
where:
bonds (distance) C4'-P energy: -43.956
bonds (distance) P-C4' energy: -37.131
flat angles C4'-P-C4' energy: -50.992
flat angles P-C4'-P energy: -37.677
tors. eta vs tors. theta energy: -68.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -693.634297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.634297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.634297 (E_RNA)
where:
Base-Base interactions energy: -476.342
where: short stacking energy: -182.671
Base-Backbone interact. energy: -0.413
local terms energy: -216.879206
where:
bonds (distance) C4'-P energy: -34.604
bonds (distance) P-C4' energy: -49.810
flat angles C4'-P-C4' energy: -44.292
flat angles P-C4'-P energy: -35.049
tors. eta vs tors. theta energy: -53.124
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: 403
Temperature: 1.300000
Total energy: -543.635490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.635490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.635490 (E_RNA)
where:
Base-Base interactions energy: -348.784
where: short stacking energy: -155.751
Base-Backbone interact. energy: -1.247
local terms energy: -193.604756
where:
bonds (distance) C4'-P energy: -36.550
bonds (distance) P-C4' energy: -40.820
flat angles C4'-P-C4' energy: -44.027
flat angles P-C4'-P energy: -32.647
tors. eta vs tors. theta energy: -39.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -220.331013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.331013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.331013 (E_RNA)
where:
Base-Base interactions energy: -70.398
where: short stacking energy: -63.198
Base-Backbone interact. energy: -0.805
local terms energy: -149.128532
where:
bonds (distance) C4'-P energy: -36.843
bonds (distance) P-C4' energy: -50.921
flat angles C4'-P-C4' energy: -41.481
flat angles P-C4'-P energy: -17.999
tors. eta vs tors. theta energy: -1.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -970.433269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.433269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.433269 (E_RNA)
where:
Base-Base interactions energy: -660.767
where: short stacking energy: -291.207
Base-Backbone interact. energy: -1.403
local terms energy: -308.264045
where:
bonds (distance) C4'-P energy: -57.461
bonds (distance) P-C4' energy: -57.797
flat angles C4'-P-C4' energy: -65.024
flat angles P-C4'-P energy: -42.002
tors. eta vs tors. theta energy: -85.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -924.541893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.541893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.541893 (E_RNA)
where:
Base-Base interactions energy: -635.938
where: short stacking energy: -262.681
Base-Backbone interact. energy: -1.914
local terms energy: -286.689785
where:
bonds (distance) C4'-P energy: -47.724
bonds (distance) P-C4' energy: -49.248
flat angles C4'-P-C4' energy: -65.734
flat angles P-C4'-P energy: -45.710
tors. eta vs tors. theta energy: -78.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -840.643179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.643179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.643179 (E_RNA)
where:
Base-Base interactions energy: -572.000
where: short stacking energy: -245.349
Base-Backbone interact. energy: 0.190
local terms energy: -268.833053
where:
bonds (distance) C4'-P energy: -48.303
bonds (distance) P-C4' energy: -58.525
flat angles C4'-P-C4' energy: -55.129
flat angles P-C4'-P energy: -43.069
tors. eta vs tors. theta energy: -63.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -844.774569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.774569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.774569 (E_RNA)
where:
Base-Base interactions energy: -596.242
where: short stacking energy: -258.895
Base-Backbone interact. energy: -0.052
local terms energy: -248.480703
where:
bonds (distance) C4'-P energy: -50.972
bonds (distance) P-C4' energy: -38.945
flat angles C4'-P-C4' energy: -53.510
flat angles P-C4'-P energy: -37.050
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: 5, replica: 8
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -836.418201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.418201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.418201 (E_RNA)
where:
Base-Base interactions energy: -586.552
where: short stacking energy: -248.608
Base-Backbone interact. energy: -0.319
local terms energy: -249.546934
where:
bonds (distance) C4'-P energy: -43.938
bonds (distance) P-C4' energy: -46.428
flat angles C4'-P-C4' energy: -51.221
flat angles P-C4'-P energy: -33.294
tors. eta vs tors. theta energy: -74.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -753.910607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.910607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.910607 (E_RNA)
where:
Base-Base interactions energy: -512.230
where: short stacking energy: -218.621
Base-Backbone interact. energy: -0.912
local terms energy: -240.769214
where:
bonds (distance) C4'-P energy: -49.508
bonds (distance) P-C4' energy: -45.376
flat angles C4'-P-C4' energy: -58.093
flat angles P-C4'-P energy: -29.380
tors. eta vs tors. theta energy: -58.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -740.176657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.176657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.176657 (E_RNA)
where:
Base-Base interactions energy: -506.814
where: short stacking energy: -206.341
Base-Backbone interact. energy: -0.968
local terms energy: -232.394759
where:
bonds (distance) C4'-P energy: -38.639
bonds (distance) P-C4' energy: -44.519
flat angles C4'-P-C4' energy: -53.721
flat angles P-C4'-P energy: -27.989
tors. eta vs tors. theta energy: -67.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -708.530605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.530605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.530605 (E_RNA)
where:
Base-Base interactions energy: -474.793
where: short stacking energy: -195.004
Base-Backbone interact. energy: -1.242
local terms energy: -232.494863
where:
bonds (distance) C4'-P energy: -45.321
bonds (distance) P-C4' energy: -58.765
flat angles C4'-P-C4' energy: -42.105
flat angles P-C4'-P energy: -29.684
tors. eta vs tors. theta energy: -56.620
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: 404
Temperature: 1.300000
Total energy: -543.077589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.077589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.077589 (E_RNA)
where:
Base-Base interactions energy: -357.711
where: short stacking energy: -174.325
Base-Backbone interact. energy: 0.762
local terms energy: -186.127913
where:
bonds (distance) C4'-P energy: -51.001
bonds (distance) P-C4' energy: -44.259
flat angles C4'-P-C4' energy: -40.047
flat angles P-C4'-P energy: -17.829
tors. eta vs tors. theta energy: -32.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -239.881403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.881403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.881403 (E_RNA)
where:
Base-Base interactions energy: -91.073
where: short stacking energy: -68.783
Base-Backbone interact. energy: -0.559
local terms energy: -148.250009
where:
bonds (distance) C4'-P energy: -47.053
bonds (distance) P-C4' energy: -45.321
flat angles C4'-P-C4' energy: -33.060
flat angles P-C4'-P energy: -31.147
tors. eta vs tors. theta energy: 8.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -978.150485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.150485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.150485 (E_RNA)
where:
Base-Base interactions energy: -682.892
where: short stacking energy: -294.913
Base-Backbone interact. energy: -1.476
local terms energy: -293.782458
where:
bonds (distance) C4'-P energy: -53.787
bonds (distance) P-C4' energy: -51.983
flat angles C4'-P-C4' energy: -59.443
flat angles P-C4'-P energy: -42.467
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: 2, replica: 2
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -926.039310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.039310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.039310 (E_RNA)
where:
Base-Base interactions energy: -642.346
where: short stacking energy: -260.935
Base-Backbone interact. energy: -2.550
local terms energy: -281.143167
where:
bonds (distance) C4'-P energy: -50.234
bonds (distance) P-C4' energy: -53.103
flat angles C4'-P-C4' energy: -57.758
flat angles P-C4'-P energy: -39.409
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: 4
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -851.529562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.529562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.529562 (E_RNA)
where:
Base-Base interactions energy: -592.361
where: short stacking energy: -233.158
Base-Backbone interact. energy: -0.751
local terms energy: -258.417999
where:
bonds (distance) C4'-P energy: -51.906
bonds (distance) P-C4' energy: -42.098
flat angles C4'-P-C4' energy: -63.893
flat angles P-C4'-P energy: -37.511
tors. eta vs tors. theta energy: -63.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -829.022668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.022668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.022668 (E_RNA)
where:
Base-Base interactions energy: -591.720
where: short stacking energy: -243.442
Base-Backbone interact. energy: -1.568
local terms energy: -235.734361
where:
bonds (distance) C4'-P energy: -46.460
bonds (distance) P-C4' energy: -46.951
flat angles C4'-P-C4' energy: -55.088
flat angles P-C4'-P energy: -30.530
tors. eta vs tors. theta energy: -56.705
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: 5, replica: 7
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -809.037477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.037477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.037477 (E_RNA)
where:
Base-Base interactions energy: -579.030
where: short stacking energy: -233.275
Base-Backbone interact. energy: -1.362
local terms energy: -228.644965
where:
bonds (distance) C4'-P energy: -37.025
bonds (distance) P-C4' energy: -45.495
flat angles C4'-P-C4' energy: -53.959
flat angles P-C4'-P energy: -31.485
tors. eta vs tors. theta energy: -60.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -779.830483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.830483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.830483 (E_RNA)
where:
Base-Base interactions energy: -539.608
where: short stacking energy: -225.956
Base-Backbone interact. energy: 0.163
local terms energy: -240.385138
where:
bonds (distance) C4'-P energy: -36.479
bonds (distance) P-C4' energy: -49.822
flat angles C4'-P-C4' energy: -56.695
flat angles P-C4'-P energy: -35.310
tors. eta vs tors. theta energy: -62.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -750.927886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.927886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.927886 (E_RNA)
where:
Base-Base interactions energy: -511.012
where: short stacking energy: -199.308
Base-Backbone interact. energy: -1.227
local terms energy: -238.688932
where:
bonds (distance) C4'-P energy: -53.344
bonds (distance) P-C4' energy: -49.052
flat angles C4'-P-C4' energy: -51.095
flat angles P-C4'-P energy: -34.929
tors. eta vs tors. theta energy: -50.269
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: 8, replica: 5
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -657.690004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.690004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.690004 (E_RNA)
where:
Base-Base interactions energy: -457.127
where: short stacking energy: -183.542
Base-Backbone interact. energy: 1.059
local terms energy: -201.622656
where:
bonds (distance) C4'-P energy: -31.712
bonds (distance) P-C4' energy: -43.954
flat angles C4'-P-C4' energy: -50.363
flat angles P-C4'-P energy: -33.569
tors. eta vs tors. theta energy: -42.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -519.556891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.556891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.556891 (E_RNA)
where:
Base-Base interactions energy: -330.222
where: short stacking energy: -145.230
Base-Backbone interact. energy: -1.098
local terms energy: -188.236728
where:
bonds (distance) C4'-P energy: -50.449
bonds (distance) P-C4' energy: -25.564
flat angles C4'-P-C4' energy: -44.409
flat angles P-C4'-P energy: -32.568
tors. eta vs tors. theta energy: -35.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -225.510559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.510559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.510559 (E_RNA)
where:
Base-Base interactions energy: -77.719
where: short stacking energy: -75.375
Base-Backbone interact. energy: 1.978
local terms energy: -149.769794
where:
bonds (distance) C4'-P energy: -45.458
bonds (distance) P-C4' energy: -42.077
flat angles C4'-P-C4' energy: -44.554
flat angles P-C4'-P energy: -18.616
tors. eta vs tors. theta energy: 0.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -966.626215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.626215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.626215 (E_RNA)
where:
Base-Base interactions energy: -677.425
where: short stacking energy: -297.890
Base-Backbone interact. energy: -1.493
local terms energy: -287.708593
where:
bonds (distance) C4'-P energy: -50.022
bonds (distance) P-C4' energy: -44.778
flat angles C4'-P-C4' energy: -59.343
flat angles P-C4'-P energy: -44.125
tors. eta vs tors. theta energy: -89.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -935.887373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.887373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.887373 (E_RNA)
where:
Base-Base interactions energy: -648.869
where: short stacking energy: -280.466
Base-Backbone interact. energy: -1.865
local terms energy: -285.152837
where:
bonds (distance) C4'-P energy: -52.737
bonds (distance) P-C4' energy: -51.842
flat angles C4'-P-C4' energy: -58.715
flat angles P-C4'-P energy: -41.659
tors. eta vs tors. theta energy: -80.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -856.324747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.324747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.324747 (E_RNA)
where:
Base-Base interactions energy: -589.700
where: short stacking energy: -242.527
Base-Backbone interact. energy: -0.268
local terms energy: -266.357446
where:
bonds (distance) C4'-P energy: -57.042
bonds (distance) P-C4' energy: -49.397
flat angles C4'-P-C4' energy: -54.809
flat angles P-C4'-P energy: -38.298
tors. eta vs tors. theta energy: -66.811
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: 8
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -833.556232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.556232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.556232 (E_RNA)
where:
Base-Base interactions energy: -567.131
where: short stacking energy: -240.464
Base-Backbone interact. energy: -0.622
local terms energy: -265.803543
where:
bonds (distance) C4'-P energy: -51.932
bonds (distance) P-C4' energy: -45.127
flat angles C4'-P-C4' energy: -58.941
flat angles P-C4'-P energy: -39.800
tors. eta vs tors. theta energy: -70.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -810.387458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.387458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.387458 (E_RNA)
where:
Base-Base interactions energy: -549.542
where: short stacking energy: -241.845
Base-Backbone interact. energy: -0.046
local terms energy: -260.799497
where:
bonds (distance) C4'-P energy: -43.680
bonds (distance) P-C4' energy: -55.810
flat angles C4'-P-C4' energy: -51.698
flat angles P-C4'-P energy: -41.169
tors. eta vs tors. theta energy: -68.442
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: 10
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -780.298535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.298535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.298535 (E_RNA)
where:
Base-Base interactions energy: -530.335
where: short stacking energy: -230.799
Base-Backbone interact. energy: -0.959
local terms energy: -249.004846
where:
bonds (distance) C4'-P energy: -38.674
bonds (distance) P-C4' energy: -52.277
flat angles C4'-P-C4' energy: -55.644
flat angles P-C4'-P energy: -43.318
tors. eta vs tors. theta energy: -59.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -710.099554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.099554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.099554 (E_RNA)
where:
Base-Base interactions energy: -473.483
where: short stacking energy: -186.830
Base-Backbone interact. energy: -0.705
local terms energy: -235.911157
where:
bonds (distance) C4'-P energy: -43.288
bonds (distance) P-C4' energy: -51.871
flat angles C4'-P-C4' energy: -48.431
flat angles P-C4'-P energy: -40.860
tors. eta vs tors. theta energy: -51.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -631.661541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.661541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.661541 (E_RNA)
where:
Base-Base interactions energy: -446.436
where: short stacking energy: -186.326
Base-Backbone interact. energy: -0.922
local terms energy: -184.303306
where:
bonds (distance) C4'-P energy: -34.215
bonds (distance) P-C4' energy: -36.913
flat angles C4'-P-C4' energy: -43.784
flat angles P-C4'-P energy: -25.354
tors. eta vs tors. theta energy: -44.037
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: 406
Temperature: 1.300000
Total energy: -560.430914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.430914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.430914 (E_RNA)
where:
Base-Base interactions energy: -367.585
where: short stacking energy: -154.088
Base-Backbone interact. energy: -0.838
local terms energy: -192.007882
where:
bonds (distance) C4'-P energy: -40.002
bonds (distance) P-C4' energy: -54.427
flat angles C4'-P-C4' energy: -44.980
flat angles P-C4'-P energy: -17.256
tors. eta vs tors. theta energy: -35.342
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: 6
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -279.418427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.418427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.418427 (E_RNA)
where:
Base-Base interactions energy: -107.673
where: short stacking energy: -70.970
Base-Backbone interact. energy: 2.572
local terms energy: -174.317805
where:
bonds (distance) C4'-P energy: -42.338
bonds (distance) P-C4' energy: -42.972
flat angles C4'-P-C4' energy: -43.545
flat angles P-C4'-P energy: -33.416
tors. eta vs tors. theta energy: -12.047
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: 1
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -955.386735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.386735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.386735 (E_RNA)
where:
Base-Base interactions energy: -667.854
where: short stacking energy: -296.220
Base-Backbone interact. energy: -0.687
local terms energy: -286.845937
where:
bonds (distance) C4'-P energy: -47.237
bonds (distance) P-C4' energy: -48.459
flat angles C4'-P-C4' energy: -60.414
flat angles P-C4'-P energy: -42.905
tors. eta vs tors. theta energy: -87.830
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: 407
Temperature: 0.950000
Total energy: -915.287846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.287846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.287846 (E_RNA)
where:
Base-Base interactions energy: -633.315
where: short stacking energy: -269.119
Base-Backbone interact. energy: 0.210
local terms energy: -282.182833
where:
bonds (distance) C4'-P energy: -40.144
bonds (distance) P-C4' energy: -53.092
flat angles C4'-P-C4' energy: -61.669
flat angles P-C4'-P energy: -44.850
tors. eta vs tors. theta energy: -82.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -856.711284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.711284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.711284 (E_RNA)
where:
Base-Base interactions energy: -597.942
where: short stacking energy: -246.710
Base-Backbone interact. energy: -1.055
local terms energy: -257.714360
where:
bonds (distance) C4'-P energy: -50.011
bonds (distance) P-C4' energy: -51.207
flat angles C4'-P-C4' energy: -50.413
flat angles P-C4'-P energy: -36.590
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: 4, replica: 8
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -830.057155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.057155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.057155 (E_RNA)
where:
Base-Base interactions energy: -589.279
where: short stacking energy: -225.420
Base-Backbone interact. energy: 0.923
local terms energy: -241.700872
where:
bonds (distance) C4'-P energy: -45.860
bonds (distance) P-C4' energy: -45.342
flat angles C4'-P-C4' energy: -52.121
flat angles P-C4'-P energy: -34.130
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: 407
Temperature: 1.100000
Total energy: -807.332848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.332848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.332848 (E_RNA)
where:
Base-Base interactions energy: -544.481
where: short stacking energy: -231.615
Base-Backbone interact. energy: -1.412
local terms energy: -261.440645
where:
bonds (distance) C4'-P energy: -41.049
bonds (distance) P-C4' energy: -55.718
flat angles C4'-P-C4' energy: -51.797
flat angles P-C4'-P energy: -38.877
tors. eta vs tors. theta energy: -74.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -812.770008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.770008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.770008 (E_RNA)
where:
Base-Base interactions energy: -574.551
where: short stacking energy: -241.316
Base-Backbone interact. energy: -0.853
local terms energy: -237.366500
where:
bonds (distance) C4'-P energy: -45.551
bonds (distance) P-C4' energy: -42.865
flat angles C4'-P-C4' energy: -48.750
flat angles P-C4'-P energy: -35.710
tors. eta vs tors. theta energy: -64.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -725.151264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.151264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.151264 (E_RNA)
where:
Base-Base interactions energy: -509.064
where: short stacking energy: -193.547
Base-Backbone interact. energy: -0.291
local terms energy: -215.796336
where:
bonds (distance) C4'-P energy: -40.976
bonds (distance) P-C4' energy: -47.450
flat angles C4'-P-C4' energy: -40.241
flat angles P-C4'-P energy: -24.602
tors. eta vs tors. theta energy: -62.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -674.713270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.713270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.713270 (E_RNA)
where:
Base-Base interactions energy: -451.450
where: short stacking energy: -191.832
Base-Backbone interact. energy: -1.118
local terms energy: -222.145414
where:
bonds (distance) C4'-P energy: -46.311
bonds (distance) P-C4' energy: -46.074
flat angles C4'-P-C4' energy: -47.537
flat angles P-C4'-P energy: -33.228
tors. eta vs tors. theta energy: -48.996
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: 407
Temperature: 1.300000
Total energy: -541.817965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.817965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.817965 (E_RNA)
where:
Base-Base interactions energy: -353.992
where: short stacking energy: -159.825
Base-Backbone interact. energy: 0.069
local terms energy: -187.895333
where:
bonds (distance) C4'-P energy: -43.979
bonds (distance) P-C4' energy: -44.562
flat angles C4'-P-C4' energy: -43.915
flat angles P-C4'-P energy: -28.185
tors. eta vs tors. theta energy: -27.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -250.674289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.674289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.674289 (E_RNA)
where:
Base-Base interactions energy: -105.248
where: short stacking energy: -67.644
Base-Backbone interact. energy: -2.320
local terms energy: -143.106320
where:
bonds (distance) C4'-P energy: -42.503
bonds (distance) P-C4' energy: -37.583
flat angles C4'-P-C4' energy: -46.084
flat angles P-C4'-P energy: -22.496
tors. eta vs tors. theta energy: 5.560
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: 1
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -960.352372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.352372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.352372 (E_RNA)
where:
Base-Base interactions energy: -655.243
where: short stacking energy: -293.627
Base-Backbone interact. energy: -0.890
local terms energy: -304.219445
where:
bonds (distance) C4'-P energy: -48.284
bonds (distance) P-C4' energy: -53.845
flat angles C4'-P-C4' energy: -60.567
flat angles P-C4'-P energy: -46.530
tors. eta vs tors. theta energy: -94.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -935.745690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.745690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.745690 (E_RNA)
where:
Base-Base interactions energy: -649.165
where: short stacking energy: -282.086
Base-Backbone interact. energy: -2.189
local terms energy: -284.392349
where:
bonds (distance) C4'-P energy: -48.672
bonds (distance) P-C4' energy: -49.974
flat angles C4'-P-C4' energy: -60.456
flat angles P-C4'-P energy: -38.748
tors. eta vs tors. theta energy: -86.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -849.992111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.992111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.992111 (E_RNA)
where:
Base-Base interactions energy: -583.392
where: short stacking energy: -239.741
Base-Backbone interact. energy: -0.857
local terms energy: -265.743823
where:
bonds (distance) C4'-P energy: -46.737
bonds (distance) P-C4' energy: -50.890
flat angles C4'-P-C4' energy: -60.341
flat angles P-C4'-P energy: -42.922
tors. eta vs tors. theta energy: -64.854
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: 4
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -819.027378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.027378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.027378 (E_RNA)
where:
Base-Base interactions energy: -580.305
where: short stacking energy: -218.658
Base-Backbone interact. energy: 1.294
local terms energy: -240.016367
where:
bonds (distance) C4'-P energy: -50.672
bonds (distance) P-C4' energy: -39.552
flat angles C4'-P-C4' energy: -54.567
flat angles P-C4'-P energy: -38.894
tors. eta vs tors. theta energy: -56.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -784.190448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.190448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.190448 (E_RNA)
where:
Base-Base interactions energy: -544.032
where: short stacking energy: -222.935
Base-Backbone interact. energy: 0.223
local terms energy: -240.381850
where:
bonds (distance) C4'-P energy: -45.689
bonds (distance) P-C4' energy: -39.915
flat angles C4'-P-C4' energy: -50.027
flat angles P-C4'-P energy: -34.369
tors. eta vs tors. theta energy: -70.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -798.029388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.029388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.029388 (E_RNA)
where:
Base-Base interactions energy: -541.657
where: short stacking energy: -225.310
Base-Backbone interact. energy: -0.784
local terms energy: -255.588895
where:
bonds (distance) C4'-P energy: -49.463
bonds (distance) P-C4' energy: -44.312
flat angles C4'-P-C4' energy: -56.113
flat angles P-C4'-P energy: -39.227
tors. eta vs tors. theta energy: -66.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -718.382044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.382044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.382044 (E_RNA)
where:
Base-Base interactions energy: -499.321
where: short stacking energy: -209.033
Base-Backbone interact. energy: -0.789
local terms energy: -218.272059
where:
bonds (distance) C4'-P energy: -48.388
bonds (distance) P-C4' energy: -39.897
flat angles C4'-P-C4' energy: -47.347
flat angles P-C4'-P energy: -34.093
tors. eta vs tors. theta energy: -48.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -705.434684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.434684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.434684 (E_RNA)
where:
Base-Base interactions energy: -489.861
where: short stacking energy: -196.789
Base-Backbone interact. energy: 1.140
local terms energy: -216.714498
where:
bonds (distance) C4'-P energy: -34.809
bonds (distance) P-C4' energy: -49.430
flat angles C4'-P-C4' energy: -52.666
flat angles P-C4'-P energy: -33.417
tors. eta vs tors. theta energy: -46.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -548.303739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.303739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.303739 (E_RNA)
where:
Base-Base interactions energy: -339.971
where: short stacking energy: -156.538
Base-Backbone interact. energy: 0.946
local terms energy: -209.278211
where:
bonds (distance) C4'-P energy: -49.971
bonds (distance) P-C4' energy: -35.177
flat angles C4'-P-C4' energy: -49.002
flat angles P-C4'-P energy: -30.972
tors. eta vs tors. theta energy: -44.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -231.003124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.003124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.003124 (E_RNA)
where:
Base-Base interactions energy: -85.262
where: short stacking energy: -70.081
Base-Backbone interact. energy: 0.577
local terms energy: -146.318415
where:
bonds (distance) C4'-P energy: -38.633
bonds (distance) P-C4' energy: -51.045
flat angles C4'-P-C4' energy: -42.694
flat angles P-C4'-P energy: -20.469
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: 1, replica: 1
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -970.951060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.951060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.951060 (E_RNA)
where:
Base-Base interactions energy: -665.051
where: short stacking energy: -293.146
Base-Backbone interact. energy: -0.331
local terms energy: -305.569144
where:
bonds (distance) C4'-P energy: -55.698
bonds (distance) P-C4' energy: -52.811
flat angles C4'-P-C4' energy: -60.115
flat angles P-C4'-P energy: -44.816
tors. eta vs tors. theta energy: -92.130
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: 2
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -911.666885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.666885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.666885 (E_RNA)
where:
Base-Base interactions energy: -629.407
where: short stacking energy: -266.421
Base-Backbone interact. energy: -0.394
local terms energy: -281.865992
where:
bonds (distance) C4'-P energy: -51.507
bonds (distance) P-C4' energy: -55.492
flat angles C4'-P-C4' energy: -51.791
flat angles P-C4'-P energy: -42.488
tors. eta vs tors. theta energy: -80.588
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: 8
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -847.617927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.617927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.617927 (E_RNA)
where:
Base-Base interactions energy: -585.214
where: short stacking energy: -242.117
Base-Backbone interact. energy: -1.139
local terms energy: -261.265507
where:
bonds (distance) C4'-P energy: -51.605
bonds (distance) P-C4' energy: -53.953
flat angles C4'-P-C4' energy: -53.879
flat angles P-C4'-P energy: -34.383
tors. eta vs tors. theta energy: -67.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -831.028004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.028004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.028004 (E_RNA)
where:
Base-Base interactions energy: -570.571
where: short stacking energy: -239.051
Base-Backbone interact. energy: -0.891
local terms energy: -259.566856
where:
bonds (distance) C4'-P energy: -47.264
bonds (distance) P-C4' energy: -56.556
flat angles C4'-P-C4' energy: -57.012
flat angles P-C4'-P energy: -33.898
tors. eta vs tors. theta energy: -64.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -803.652527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.652527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.652527 (E_RNA)
where:
Base-Base interactions energy: -562.131
where: short stacking energy: -227.012
Base-Backbone interact. energy: -0.417
local terms energy: -241.104518
where:
bonds (distance) C4'-P energy: -50.761
bonds (distance) P-C4' energy: -45.771
flat angles C4'-P-C4' energy: -55.267
flat angles P-C4'-P energy: -30.443
tors. eta vs tors. theta energy: -58.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -803.494415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.494415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.494415 (E_RNA)
where:
Base-Base interactions energy: -555.814
where: short stacking energy: -238.497
Base-Backbone interact. energy: -0.729
local terms energy: -246.951204
where:
bonds (distance) C4'-P energy: -39.803
bonds (distance) P-C4' energy: -45.224
flat angles C4'-P-C4' energy: -50.947
flat angles P-C4'-P energy: -42.302
tors. eta vs tors. theta energy: -68.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -708.278607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.278607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.278607 (E_RNA)
where:
Base-Base interactions energy: -494.285
where: short stacking energy: -199.471
Base-Backbone interact. energy: -0.694
local terms energy: -213.299579
where:
bonds (distance) C4'-P energy: -48.686
bonds (distance) P-C4' energy: -52.333
flat angles C4'-P-C4' energy: -37.526
flat angles P-C4'-P energy: -26.230
tors. eta vs tors. theta energy: -48.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -720.087695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.087695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.087695 (E_RNA)
where:
Base-Base interactions energy: -502.801
where: short stacking energy: -202.550
Base-Backbone interact. energy: -0.501
local terms energy: -216.785650
where:
bonds (distance) C4'-P energy: -34.436
bonds (distance) P-C4' energy: -43.550
flat angles C4'-P-C4' energy: -40.980
flat angles P-C4'-P energy: -37.435
tors. eta vs tors. theta energy: -60.385
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: 9
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -517.200166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.200166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.200166 (E_RNA)
where:
Base-Base interactions energy: -333.085
where: short stacking energy: -161.768
Base-Backbone interact. energy: -0.395
local terms energy: -183.720014
where:
bonds (distance) C4'-P energy: -43.137
bonds (distance) P-C4' energy: -33.920
flat angles C4'-P-C4' energy: -49.299
flat angles P-C4'-P energy: -24.334
tors. eta vs tors. theta energy: -33.030
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: 10, replica: 6
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -215.003730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.003730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.003730 (E_RNA)
where:
Base-Base interactions energy: -63.535
where: short stacking energy: -57.442
Base-Backbone interact. energy: -1.103
local terms energy: -150.365043
where:
bonds (distance) C4'-P energy: -44.544
bonds (distance) P-C4' energy: -40.789
flat angles C4'-P-C4' energy: -38.700
flat angles P-C4'-P energy: -30.840
tors. eta vs tors. theta energy: 4.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -961.180697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.180697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.180697 (E_RNA)
where:
Base-Base interactions energy: -666.558
where: short stacking energy: -306.113
Base-Backbone interact. energy: -1.234
local terms energy: -293.388781
where:
bonds (distance) C4'-P energy: -54.254
bonds (distance) P-C4' energy: -49.969
flat angles C4'-P-C4' energy: -59.834
flat angles P-C4'-P energy: -41.187
tors. eta vs tors. theta energy: -88.145
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: 2, replica: 2
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -918.179678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.179678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.179678 (E_RNA)
where:
Base-Base interactions energy: -637.070
where: short stacking energy: -268.074
Base-Backbone interact. energy: -2.065
local terms energy: -279.044626
where:
bonds (distance) C4'-P energy: -53.310
bonds (distance) P-C4' energy: -46.328
flat angles C4'-P-C4' energy: -56.903
flat angles P-C4'-P energy: -38.130
tors. eta vs tors. theta energy: -84.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -852.047167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.047167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.047167 (E_RNA)
where:
Base-Base interactions energy: -592.157
where: short stacking energy: -244.598
Base-Backbone interact. energy: -1.348
local terms energy: -258.541710
where:
bonds (distance) C4'-P energy: -46.835
bonds (distance) P-C4' energy: -55.834
flat angles C4'-P-C4' energy: -55.256
flat angles P-C4'-P energy: -32.540
tors. eta vs tors. theta energy: -68.076
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: 8
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -841.734309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.734309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.734309 (E_RNA)
where:
Base-Base interactions energy: -578.814
where: short stacking energy: -237.921
Base-Backbone interact. energy: 1.391
local terms energy: -264.310560
where:
bonds (distance) C4'-P energy: -52.140
bonds (distance) P-C4' energy: -56.520
flat angles C4'-P-C4' energy: -57.176
flat angles P-C4'-P energy: -36.727
tors. eta vs tors. theta energy: -61.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -810.680313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.680313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.680313 (E_RNA)
where:
Base-Base interactions energy: -569.215
where: short stacking energy: -219.470
Base-Backbone interact. energy: 0.503
local terms energy: -241.968405
where:
bonds (distance) C4'-P energy: -53.280
bonds (distance) P-C4' energy: -47.055
flat angles C4'-P-C4' energy: -52.530
flat angles P-C4'-P energy: -28.759
tors. eta vs tors. theta energy: -60.345
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: 10
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -799.071480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.071480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.071480 (E_RNA)
where:
Base-Base interactions energy: -548.772
where: short stacking energy: -237.606
Base-Backbone interact. energy: 2.272
local terms energy: -252.572097
where:
bonds (distance) C4'-P energy: -42.104
bonds (distance) P-C4' energy: -57.336
flat angles C4'-P-C4' energy: -52.529
flat angles P-C4'-P energy: -33.725
tors. eta vs tors. theta energy: -66.878
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: 3
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -701.751596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.751596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.751596 (E_RNA)
where:
Base-Base interactions energy: -473.049
where: short stacking energy: -203.028
Base-Backbone interact. energy: -2.283
local terms energy: -226.420042
where:
bonds (distance) C4'-P energy: -47.969
bonds (distance) P-C4' energy: -44.579
flat angles C4'-P-C4' energy: -53.225
flat angles P-C4'-P energy: -28.096
tors. eta vs tors. theta energy: -52.551
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: 8, replica: 5
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -700.552601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.552601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.552601 (E_RNA)
where:
Base-Base interactions energy: -490.064
where: short stacking energy: -193.261
Base-Backbone interact. energy: -1.674
local terms energy: -208.813768
where:
bonds (distance) C4'-P energy: -40.763
bonds (distance) P-C4' energy: -34.806
flat angles C4'-P-C4' energy: -46.964
flat angles P-C4'-P energy: -36.099
tors. eta vs tors. theta energy: -50.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -504.293730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.293730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.293730 (E_RNA)
where:
Base-Base interactions energy: -316.005
where: short stacking energy: -142.321
Base-Backbone interact. energy: -1.102
local terms energy: -187.187056
where:
bonds (distance) C4'-P energy: -39.355
bonds (distance) P-C4' energy: -51.861
flat angles C4'-P-C4' energy: -39.689
flat angles P-C4'-P energy: -32.799
tors. eta vs tors. theta energy: -23.483
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: 6
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -215.808247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.808247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.808247 (E_RNA)
where:
Base-Base interactions energy: -81.835
where: short stacking energy: -61.036
Base-Backbone interact. energy: 2.389
local terms energy: -136.362431
where:
bonds (distance) C4'-P energy: -47.032
bonds (distance) P-C4' energy: -45.642
flat angles C4'-P-C4' energy: -35.538
flat angles P-C4'-P energy: -23.674
tors. eta vs tors. theta energy: 15.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -969.839180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.839180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.839180 (E_RNA)
where:
Base-Base interactions energy: -677.490
where: short stacking energy: -295.780
Base-Backbone interact. energy: 0.403
local terms energy: -292.752112
where:
bonds (distance) C4'-P energy: -56.440
bonds (distance) P-C4' energy: -53.540
flat angles C4'-P-C4' energy: -59.886
flat angles P-C4'-P energy: -42.994
tors. eta vs tors. theta energy: -79.892
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: 2
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -918.284053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.284053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.284053 (E_RNA)
where:
Base-Base interactions energy: -650.266
where: short stacking energy: -275.938
Base-Backbone interact. energy: -1.590
local terms energy: -266.428291
where:
bonds (distance) C4'-P energy: -46.418
bonds (distance) P-C4' energy: -45.586
flat angles C4'-P-C4' energy: -52.304
flat angles P-C4'-P energy: -37.524
tors. eta vs tors. theta energy: -84.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -851.551429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.551429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.551429 (E_RNA)
where:
Base-Base interactions energy: -578.886
where: short stacking energy: -246.075
Base-Backbone interact. energy: -0.877
local terms energy: -271.788809
where:
bonds (distance) C4'-P energy: -46.910
bonds (distance) P-C4' energy: -57.738
flat angles C4'-P-C4' energy: -56.151
flat angles P-C4'-P energy: -38.863
tors. eta vs tors. theta energy: -72.126
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: 8
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -856.417015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.417015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.417015 (E_RNA)
where:
Base-Base interactions energy: -593.969
where: short stacking energy: -255.329
Base-Backbone interact. energy: -0.547
local terms energy: -261.901170
where:
bonds (distance) C4'-P energy: -39.911
bonds (distance) P-C4' energy: -57.764
flat angles C4'-P-C4' energy: -61.054
flat angles P-C4'-P energy: -30.215
tors. eta vs tors. theta energy: -72.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -823.025274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.025274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.025274 (E_RNA)
where:
Base-Base interactions energy: -582.426
where: short stacking energy: -239.178
Base-Backbone interact. energy: 1.302
local terms energy: -241.900443
where:
bonds (distance) C4'-P energy: -43.769
bonds (distance) P-C4' energy: -43.340
flat angles C4'-P-C4' energy: -47.983
flat angles P-C4'-P energy: -37.035
tors. eta vs tors. theta energy: -69.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -817.814086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.814086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.814086 (E_RNA)
where:
Base-Base interactions energy: -584.257
where: short stacking energy: -230.720
Base-Backbone interact. energy: -1.535
local terms energy: -232.021229
where:
bonds (distance) C4'-P energy: -40.341
bonds (distance) P-C4' energy: -43.917
flat angles C4'-P-C4' energy: -53.255
flat angles P-C4'-P energy: -30.569
tors. eta vs tors. theta energy: -63.940
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: 3
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -726.937810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.937810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.937810 (E_RNA)
where:
Base-Base interactions energy: -502.750
where: short stacking energy: -203.308
Base-Backbone interact. energy: -0.765
local terms energy: -223.422481
where:
bonds (distance) C4'-P energy: -52.403
bonds (distance) P-C4' energy: -42.920
flat angles C4'-P-C4' energy: -45.967
flat angles P-C4'-P energy: -33.009
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: 8, replica: 5
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -717.929430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.929430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.929430 (E_RNA)
where:
Base-Base interactions energy: -506.074
where: short stacking energy: -206.537
Base-Backbone interact. energy: -0.415
local terms energy: -211.440655
where:
bonds (distance) C4'-P energy: -39.082
bonds (distance) P-C4' energy: -38.516
flat angles C4'-P-C4' energy: -51.677
flat angles P-C4'-P energy: -26.352
tors. eta vs tors. theta energy: -55.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -489.023727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.023727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.023727 (E_RNA)
where:
Base-Base interactions energy: -293.482
where: short stacking energy: -122.705
Base-Backbone interact. energy: 2.178
local terms energy: -197.719553
where:
bonds (distance) C4'-P energy: -40.269
bonds (distance) P-C4' energy: -46.590
flat angles C4'-P-C4' energy: -44.253
flat angles P-C4'-P energy: -38.534
tors. eta vs tors. theta energy: -28.073
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: 6
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -279.925795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.925795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.925795 (E_RNA)
where:
Base-Base interactions energy: -145.216
where: short stacking energy: -89.082
Base-Backbone interact. energy: 0.249
local terms energy: -134.958863
where:
bonds (distance) C4'-P energy: -39.866
bonds (distance) P-C4' energy: -44.289
flat angles C4'-P-C4' energy: -31.014
flat angles P-C4'-P energy: -19.313
tors. eta vs tors. theta energy: -0.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -962.093892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.093892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.093892 (E_RNA)
where:
Base-Base interactions energy: -663.126
where: short stacking energy: -283.631
Base-Backbone interact. energy: -0.613
local terms energy: -298.354466
where:
bonds (distance) C4'-P energy: -57.346
bonds (distance) P-C4' energy: -56.283
flat angles C4'-P-C4' energy: -55.350
flat angles P-C4'-P energy: -42.459
tors. eta vs tors. theta energy: -86.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -908.410381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.410381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.410381 (E_RNA)
where:
Base-Base interactions energy: -643.521
where: short stacking energy: -269.515
Base-Backbone interact. energy: -0.809
local terms energy: -264.079837
where:
bonds (distance) C4'-P energy: -42.301
bonds (distance) P-C4' energy: -46.847
flat angles C4'-P-C4' energy: -53.851
flat angles P-C4'-P energy: -36.102
tors. eta vs tors. theta energy: -84.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -849.381286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.381286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.381286 (E_RNA)
where:
Base-Base interactions energy: -598.567
where: short stacking energy: -245.002
Base-Backbone interact. energy: -2.013
local terms energy: -248.801478
where:
bonds (distance) C4'-P energy: -41.568
bonds (distance) P-C4' energy: -41.609
flat angles C4'-P-C4' energy: -52.459
flat angles P-C4'-P energy: -42.153
tors. eta vs tors. theta energy: -71.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -833.169518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.169518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.169518 (E_RNA)
where:
Base-Base interactions energy: -586.458
where: short stacking energy: -238.069
Base-Backbone interact. energy: -0.806
local terms energy: -245.905391
where:
bonds (distance) C4'-P energy: -50.130
bonds (distance) P-C4' energy: -40.456
flat angles C4'-P-C4' energy: -53.771
flat angles P-C4'-P energy: -43.249
tors. eta vs tors. theta energy: -58.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -816.549115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.549115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.549115 (E_RNA)
where:
Base-Base interactions energy: -550.651
where: short stacking energy: -244.444
Base-Backbone interact. energy: -0.987
local terms energy: -264.911438
where:
bonds (distance) C4'-P energy: -42.106
bonds (distance) P-C4' energy: -53.064
flat angles C4'-P-C4' energy: -58.435
flat angles P-C4'-P energy: -41.701
tors. eta vs tors. theta energy: -69.606
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: 10
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -780.896287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.896287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.896287 (E_RNA)
where:
Base-Base interactions energy: -537.777
where: short stacking energy: -229.455
Base-Backbone interact. energy: -0.278
local terms energy: -242.841165
where:
bonds (distance) C4'-P energy: -36.745
bonds (distance) P-C4' energy: -44.577
flat angles C4'-P-C4' energy: -55.158
flat angles P-C4'-P energy: -39.316
tors. eta vs tors. theta energy: -67.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -727.801666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.801666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.801666 (E_RNA)
where:
Base-Base interactions energy: -510.083
where: short stacking energy: -221.953
Base-Backbone interact. energy: -0.237
local terms energy: -217.481659
where:
bonds (distance) C4'-P energy: -39.001
bonds (distance) P-C4' energy: -36.326
flat angles C4'-P-C4' energy: -53.216
flat angles P-C4'-P energy: -34.611
tors. eta vs tors. theta energy: -54.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -685.803130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.803130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.803130 (E_RNA)
where:
Base-Base interactions energy: -468.627
where: short stacking energy: -192.952
Base-Backbone interact. energy: -1.634
local terms energy: -215.541873
where:
bonds (distance) C4'-P energy: -34.122
bonds (distance) P-C4' energy: -55.368
flat angles C4'-P-C4' energy: -49.718
flat angles P-C4'-P energy: -27.191
tors. eta vs tors. theta energy: -49.142
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: 9
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -546.581283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.581283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.581283 (E_RNA)
where:
Base-Base interactions energy: -364.389
where: short stacking energy: -145.349
Base-Backbone interact. energy: 1.918
local terms energy: -184.110179
where:
bonds (distance) C4'-P energy: -43.893
bonds (distance) P-C4' energy: -39.708
flat angles C4'-P-C4' energy: -44.948
flat angles P-C4'-P energy: -26.831
tors. eta vs tors. theta energy: -28.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -208.906882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.906882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.906882 (E_RNA)
where:
Base-Base interactions energy: -65.513
where: short stacking energy: -60.458
Base-Backbone interact. energy: 7.946
local terms energy: -151.339380
where:
bonds (distance) C4'-P energy: -49.515
bonds (distance) P-C4' energy: -50.557
flat angles C4'-P-C4' energy: -30.710
flat angles P-C4'-P energy: -24.465
tors. eta vs tors. theta energy: 3.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -946.278943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.278943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.278943 (E_RNA)
where:
Base-Base interactions energy: -663.179
where: short stacking energy: -294.221
Base-Backbone interact. energy: -0.570
local terms energy: -282.529751
where:
bonds (distance) C4'-P energy: -47.821
bonds (distance) P-C4' energy: -50.956
flat angles C4'-P-C4' energy: -60.854
flat angles P-C4'-P energy: -41.211
tors. eta vs tors. theta energy: -81.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -914.838911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.838911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.838911 (E_RNA)
where:
Base-Base interactions energy: -634.446
where: short stacking energy: -262.015
Base-Backbone interact. energy: 1.717
local terms energy: -282.110636
where:
bonds (distance) C4'-P energy: -52.664
bonds (distance) P-C4' energy: -53.708
flat angles C4'-P-C4' energy: -54.686
flat angles P-C4'-P energy: -42.724
tors. eta vs tors. theta energy: -78.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -867.730153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.730153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.730153 (E_RNA)
where:
Base-Base interactions energy: -598.042
where: short stacking energy: -259.633
Base-Backbone interact. energy: -0.085
local terms energy: -269.603500
where:
bonds (distance) C4'-P energy: -52.059
bonds (distance) P-C4' energy: -54.605
flat angles C4'-P-C4' energy: -52.962
flat angles P-C4'-P energy: -42.147
tors. eta vs tors. theta energy: -67.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -841.932938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.932938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.932938 (E_RNA)
where:
Base-Base interactions energy: -574.495
where: short stacking energy: -248.886
Base-Backbone interact. energy: -0.010
local terms energy: -267.427366
where:
bonds (distance) C4'-P energy: -47.543
bonds (distance) P-C4' energy: -56.440
flat angles C4'-P-C4' energy: -53.346
flat angles P-C4'-P energy: -36.316
tors. eta vs tors. theta energy: -73.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -831.494809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.494809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.494809 (E_RNA)
where:
Base-Base interactions energy: -585.781
where: short stacking energy: -250.234
Base-Backbone interact. energy: 0.157
local terms energy: -245.870671
where:
bonds (distance) C4'-P energy: -47.938
bonds (distance) P-C4' energy: -47.456
flat angles C4'-P-C4' energy: -53.637
flat angles P-C4'-P energy: -36.604
tors. eta vs tors. theta energy: -60.235
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: 413
Temperature: 1.150000
Total energy: -795.714064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.714064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.714064 (E_RNA)
where:
Base-Base interactions energy: -557.495
where: short stacking energy: -224.918
Base-Backbone interact. energy: -0.295
local terms energy: -237.924271
where:
bonds (distance) C4'-P energy: -48.932
bonds (distance) P-C4' energy: -43.408
flat angles C4'-P-C4' energy: -54.090
flat angles P-C4'-P energy: -29.009
tors. eta vs tors. theta energy: -62.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -734.991442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.991442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.991442 (E_RNA)
where:
Base-Base interactions energy: -519.944
where: short stacking energy: -215.172
Base-Backbone interact. energy: -2.383
local terms energy: -212.665198
where:
bonds (distance) C4'-P energy: -50.340
bonds (distance) P-C4' energy: -38.278
flat angles C4'-P-C4' energy: -44.266
flat angles P-C4'-P energy: -23.961
tors. eta vs tors. theta energy: -55.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -679.815793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.815793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.815793 (E_RNA)
where:
Base-Base interactions energy: -469.939
where: short stacking energy: -186.249
Base-Backbone interact. energy: -0.544
local terms energy: -209.333137
where:
bonds (distance) C4'-P energy: -47.009
bonds (distance) P-C4' energy: -42.184
flat angles C4'-P-C4' energy: -45.906
flat angles P-C4'-P energy: -27.299
tors. eta vs tors. theta energy: -46.934
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: 9, replica: 9
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -560.662693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.662693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.662693 (E_RNA)
where:
Base-Base interactions energy: -364.433
where: short stacking energy: -153.578
Base-Backbone interact. energy: 0.913
local terms energy: -197.142739
where:
bonds (distance) C4'-P energy: -38.552
bonds (distance) P-C4' energy: -44.580
flat angles C4'-P-C4' energy: -46.720
flat angles P-C4'-P energy: -22.605
tors. eta vs tors. theta energy: -44.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -202.263045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.263045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.263045 (E_RNA)
where:
Base-Base interactions energy: -77.752
where: short stacking energy: -68.924
Base-Backbone interact. energy: 1.358
local terms energy: -125.869030
where:
bonds (distance) C4'-P energy: -28.968
bonds (distance) P-C4' energy: -43.343
flat angles C4'-P-C4' energy: -40.961
flat angles P-C4'-P energy: -20.557
tors. eta vs tors. theta energy: 7.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -953.315900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.315900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.315900 (E_RNA)
where:
Base-Base interactions energy: -649.626
where: short stacking energy: -298.283
Base-Backbone interact. energy: -0.660
local terms energy: -303.029520
where:
bonds (distance) C4'-P energy: -55.167
bonds (distance) P-C4' energy: -56.607
flat angles C4'-P-C4' energy: -61.471
flat angles P-C4'-P energy: -42.642
tors. eta vs tors. theta energy: -87.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -910.310853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.310853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.310853 (E_RNA)
where:
Base-Base interactions energy: -642.707
where: short stacking energy: -263.319
Base-Backbone interact. energy: -0.035
local terms energy: -267.568695
where:
bonds (distance) C4'-P energy: -44.096
bonds (distance) P-C4' energy: -44.623
flat angles C4'-P-C4' energy: -53.127
flat angles P-C4'-P energy: -43.070
tors. eta vs tors. theta energy: -82.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -875.693333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.693333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.693333 (E_RNA)
where:
Base-Base interactions energy: -599.217
where: short stacking energy: -260.316
Base-Backbone interact. energy: -0.615
local terms energy: -275.861085
where:
bonds (distance) C4'-P energy: -53.169
bonds (distance) P-C4' energy: -51.870
flat angles C4'-P-C4' energy: -58.872
flat angles P-C4'-P energy: -31.068
tors. eta vs tors. theta energy: -80.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -854.005234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.005234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.005234 (E_RNA)
where:
Base-Base interactions energy: -592.915
where: short stacking energy: -248.069
Base-Backbone interact. energy: -1.382
local terms energy: -259.708038
where:
bonds (distance) C4'-P energy: -46.603
bonds (distance) P-C4' energy: -47.260
flat angles C4'-P-C4' energy: -56.587
flat angles P-C4'-P energy: -39.228
tors. eta vs tors. theta energy: -70.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -813.408915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.408915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.408915 (E_RNA)
where:
Base-Base interactions energy: -561.839
where: short stacking energy: -229.037
Base-Backbone interact. energy: 0.551
local terms energy: -252.121247
where:
bonds (distance) C4'-P energy: -50.206
bonds (distance) P-C4' energy: -44.247
flat angles C4'-P-C4' energy: -53.173
flat angles P-C4'-P energy: -39.425
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: 414
Temperature: 1.150000
Total energy: -777.747207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.747207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.747207 (E_RNA)
where:
Base-Base interactions energy: -542.682
where: short stacking energy: -220.330
Base-Backbone interact. energy: 1.058
local terms energy: -236.122780
where:
bonds (distance) C4'-P energy: -39.782
bonds (distance) P-C4' energy: -44.843
flat angles C4'-P-C4' energy: -55.181
flat angles P-C4'-P energy: -37.780
tors. eta vs tors. theta energy: -58.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -744.575126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.575126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.575126 (E_RNA)
where:
Base-Base interactions energy: -520.580
where: short stacking energy: -224.839
Base-Backbone interact. energy: 0.400
local terms energy: -224.394692
where:
bonds (distance) C4'-P energy: -47.601
bonds (distance) P-C4' energy: -47.337
flat angles C4'-P-C4' energy: -46.519
flat angles P-C4'-P energy: -26.969
tors. eta vs tors. theta energy: -55.969
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: 8, replica: 5
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -709.206236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.206236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.206236 (E_RNA)
where:
Base-Base interactions energy: -494.314
where: short stacking energy: -206.070
Base-Backbone interact. energy: -0.692
local terms energy: -214.200058
where:
bonds (distance) C4'-P energy: -42.444
bonds (distance) P-C4' energy: -43.675
flat angles C4'-P-C4' energy: -40.749
flat angles P-C4'-P energy: -34.940
tors. eta vs tors. theta energy: -52.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -591.993520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.993520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.993520 (E_RNA)
where:
Base-Base interactions energy: -394.920
where: short stacking energy: -167.842
Base-Backbone interact. energy: -0.697
local terms energy: -196.377001
where:
bonds (distance) C4'-P energy: -32.171
bonds (distance) P-C4' energy: -48.130
flat angles C4'-P-C4' energy: -52.448
flat angles P-C4'-P energy: -21.035
tors. eta vs tors. theta energy: -42.594
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: 6
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -223.193813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.193813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.193813 (E_RNA)
where:
Base-Base interactions energy: -96.458
where: short stacking energy: -70.222
Base-Backbone interact. energy: -1.459
local terms energy: -125.276955
where:
bonds (distance) C4'-P energy: -34.923
bonds (distance) P-C4' energy: -37.019
flat angles C4'-P-C4' energy: -41.270
flat angles P-C4'-P energy: -21.635
tors. eta vs tors. theta energy: 9.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -938.069773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.069773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.069773 (E_RNA)
where:
Base-Base interactions energy: -659.622
where: short stacking energy: -275.076
Base-Backbone interact. energy: 0.077
local terms energy: -278.524585
where:
bonds (distance) C4'-P energy: -51.220
bonds (distance) P-C4' energy: -53.097
flat angles C4'-P-C4' energy: -59.968
flat angles P-C4'-P energy: -37.442
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: 2, replica: 8
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -891.621506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.621506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.621506 (E_RNA)
where:
Base-Base interactions energy: -603.738
where: short stacking energy: -255.892
Base-Backbone interact. energy: 0.009
local terms energy: -287.892499
where:
bonds (distance) C4'-P energy: -53.951
bonds (distance) P-C4' energy: -54.244
flat angles C4'-P-C4' energy: -54.044
flat angles P-C4'-P energy: -45.126
tors. eta vs tors. theta energy: -80.527
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: 415
Temperature: 1.000000
Total energy: -901.293907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.293907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.293907 (E_RNA)
where:
Base-Base interactions energy: -634.099
where: short stacking energy: -262.684
Base-Backbone interact. energy: -1.685
local terms energy: -265.510072
where:
bonds (distance) C4'-P energy: -55.217
bonds (distance) P-C4' energy: -48.453
flat angles C4'-P-C4' energy: -56.812
flat angles P-C4'-P energy: -34.439
tors. eta vs tors. theta energy: -70.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -850.467709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.467709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.467709 (E_RNA)
where:
Base-Base interactions energy: -607.338
where: short stacking energy: -247.945
Base-Backbone interact. energy: -0.350
local terms energy: -242.780028
where:
bonds (distance) C4'-P energy: -41.683
bonds (distance) P-C4' energy: -48.528
flat angles C4'-P-C4' energy: -53.710
flat angles P-C4'-P energy: -29.540
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: 5, replica: 7
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -829.607822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.607822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.607822 (E_RNA)
where:
Base-Base interactions energy: -586.122
where: short stacking energy: -250.395
Base-Backbone interact. energy: -1.084
local terms energy: -242.401442
where:
bonds (distance) C4'-P energy: -38.873
bonds (distance) P-C4' energy: -51.315
flat angles C4'-P-C4' energy: -54.617
flat angles P-C4'-P energy: -30.342
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: 6, replica: 4
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -780.763813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.763813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.763813 (E_RNA)
where:
Base-Base interactions energy: -538.346
where: short stacking energy: -227.043
Base-Backbone interact. energy: 0.452
local terms energy: -242.870476
where:
bonds (distance) C4'-P energy: -56.728
bonds (distance) P-C4' energy: -41.675
flat angles C4'-P-C4' energy: -44.440
flat angles P-C4'-P energy: -40.440
tors. eta vs tors. theta energy: -59.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -743.516099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.516099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.516099 (E_RNA)
where:
Base-Base interactions energy: -499.154
where: short stacking energy: -209.126
Base-Backbone interact. energy: -2.620
local terms energy: -241.741999
where:
bonds (distance) C4'-P energy: -46.389
bonds (distance) P-C4' energy: -49.203
flat angles C4'-P-C4' energy: -56.885
flat angles P-C4'-P energy: -26.496
tors. eta vs tors. theta energy: -62.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -721.166451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.166451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.166451 (E_RNA)
where:
Base-Base interactions energy: -491.291
where: short stacking energy: -196.223
Base-Backbone interact. energy: 0.360
local terms energy: -230.235698
where:
bonds (distance) C4'-P energy: -47.289
bonds (distance) P-C4' energy: -46.225
flat angles C4'-P-C4' energy: -53.403
flat angles P-C4'-P energy: -22.673
tors. eta vs tors. theta energy: -60.647
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: 9, replica: 9
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -585.513379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.513379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.513379 (E_RNA)
where:
Base-Base interactions energy: -393.176
where: short stacking energy: -157.012
Base-Backbone interact. energy: 1.510
local terms energy: -193.847734
where:
bonds (distance) C4'-P energy: -47.751
bonds (distance) P-C4' energy: -41.508
flat angles C4'-P-C4' energy: -38.606
flat angles P-C4'-P energy: -19.607
tors. eta vs tors. theta energy: -46.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -241.527856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.527856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.527856 (E_RNA)
where:
Base-Base interactions energy: -97.478
where: short stacking energy: -77.098
Base-Backbone interact. energy: -0.889
local terms energy: -143.160363
where:
bonds (distance) C4'-P energy: -44.191
bonds (distance) P-C4' energy: -52.173
flat angles C4'-P-C4' energy: -36.436
flat angles P-C4'-P energy: -14.047
tors. eta vs tors. theta energy: 3.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -972.018998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.018998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.018998 (E_RNA)
where:
Base-Base interactions energy: -672.039
where: short stacking energy: -292.466
Base-Backbone interact. energy: -2.113
local terms energy: -297.866742
where:
bonds (distance) C4'-P energy: -52.122
bonds (distance) P-C4' energy: -47.890
flat angles C4'-P-C4' energy: -63.956
flat angles P-C4'-P energy: -46.904
tors. eta vs tors. theta energy: -86.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -895.690340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.690340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.690340 (E_RNA)
where:
Base-Base interactions energy: -616.834
where: short stacking energy: -272.017
Base-Backbone interact. energy: -1.725
local terms energy: -277.131680
where:
bonds (distance) C4'-P energy: -42.420
bonds (distance) P-C4' energy: -51.371
flat angles C4'-P-C4' energy: -57.988
flat angles P-C4'-P energy: -42.663
tors. eta vs tors. theta energy: -82.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -856.543249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.543249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.543249 (E_RNA)
where:
Base-Base interactions energy: -575.371
where: short stacking energy: -246.000
Base-Backbone interact. energy: -1.462
local terms energy: -279.710430
where:
bonds (distance) C4'-P energy: -54.984
bonds (distance) P-C4' energy: -50.537
flat angles C4'-P-C4' energy: -58.785
flat angles P-C4'-P energy: -39.419
tors. eta vs tors. theta energy: -75.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -888.609684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.609684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.609684 (E_RNA)
where:
Base-Base interactions energy: -616.686
where: short stacking energy: -258.769
Base-Backbone interact. energy: 2.891
local terms energy: -274.814899
where:
bonds (distance) C4'-P energy: -51.423
bonds (distance) P-C4' energy: -53.073
flat angles C4'-P-C4' energy: -60.786
flat angles P-C4'-P energy: -41.836
tors. eta vs tors. theta energy: -67.698
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: 5, replica: 4
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -809.405943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.405943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.405943 (E_RNA)
where:
Base-Base interactions energy: -555.582
where: short stacking energy: -232.063
Base-Backbone interact. energy: 0.753
local terms energy: -254.577196
where:
bonds (distance) C4'-P energy: -49.703
bonds (distance) P-C4' energy: -51.669
flat angles C4'-P-C4' energy: -55.168
flat angles P-C4'-P energy: -36.317
tors. eta vs tors. theta energy: -61.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -796.160667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.160667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.160667 (E_RNA)
where:
Base-Base interactions energy: -541.639
where: short stacking energy: -213.358
Base-Backbone interact. energy: 3.795
local terms energy: -258.316386
where:
bonds (distance) C4'-P energy: -49.811
bonds (distance) P-C4' energy: -59.951
flat angles C4'-P-C4' energy: -54.905
flat angles P-C4'-P energy: -38.877
tors. eta vs tors. theta energy: -54.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -775.481306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.481306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.481306 (E_RNA)
where:
Base-Base interactions energy: -539.309
where: short stacking energy: -237.837
Base-Backbone interact. energy: -0.704
local terms energy: -235.468526
where:
bonds (distance) C4'-P energy: -42.768
bonds (distance) P-C4' energy: -44.262
flat angles C4'-P-C4' energy: -54.740
flat angles P-C4'-P energy: -26.679
tors. eta vs tors. theta energy: -67.019
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: 3
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -718.793156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.793156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.793156 (E_RNA)
where:
Base-Base interactions energy: -497.124
where: short stacking energy: -212.870
Base-Backbone interact. energy: -0.565
local terms energy: -221.103473
where:
bonds (distance) C4'-P energy: -42.854
bonds (distance) P-C4' energy: -41.052
flat angles C4'-P-C4' energy: -46.475
flat angles P-C4'-P energy: -32.369
tors. eta vs tors. theta energy: -58.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -629.722067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.722067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.722067 (E_RNA)
where:
Base-Base interactions energy: -423.629
where: short stacking energy: -176.089
Base-Backbone interact. energy: -0.717
local terms energy: -205.376188
where:
bonds (distance) C4'-P energy: -38.719
bonds (distance) P-C4' energy: -42.077
flat angles C4'-P-C4' energy: -42.670
flat angles P-C4'-P energy: -31.328
tors. eta vs tors. theta energy: -50.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -217.538179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.538179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.538179 (E_RNA)
where:
Base-Base interactions energy: -73.151
where: short stacking energy: -59.217
Base-Backbone interact. energy: -1.157
local terms energy: -143.229945
where:
bonds (distance) C4'-P energy: -44.240
bonds (distance) P-C4' energy: -43.089
flat angles C4'-P-C4' energy: -43.102
flat angles P-C4'-P energy: -20.432
tors. eta vs tors. theta energy: 7.633
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: 1
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -963.240441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.240441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.240441 (E_RNA)
where:
Base-Base interactions energy: -673.615
where: short stacking energy: -275.223
Base-Backbone interact. energy: -0.510
local terms energy: -289.115534
where:
bonds (distance) C4'-P energy: -50.410
bonds (distance) P-C4' energy: -51.967
flat angles C4'-P-C4' energy: -61.387
flat angles P-C4'-P energy: -42.580
tors. eta vs tors. theta energy: -82.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -885.449883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.449883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.449883 (E_RNA)
where:
Base-Base interactions energy: -620.085
where: short stacking energy: -252.992
Base-Backbone interact. energy: -0.478
local terms energy: -264.886381
where:
bonds (distance) C4'-P energy: -39.569
bonds (distance) P-C4' energy: -55.522
flat angles C4'-P-C4' energy: -58.198
flat angles P-C4'-P energy: -37.886
tors. eta vs tors. theta energy: -73.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -877.042197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.042197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.042197 (E_RNA)
where:
Base-Base interactions energy: -594.208
where: short stacking energy: -256.055
Base-Backbone interact. energy: -0.344
local terms energy: -282.490384
where:
bonds (distance) C4'-P energy: -56.725
bonds (distance) P-C4' energy: -54.277
flat angles C4'-P-C4' energy: -54.811
flat angles P-C4'-P energy: -39.799
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: 417
Temperature: 1.050000
Total energy: -875.777097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.777097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.777097 (E_RNA)
where:
Base-Base interactions energy: -617.161
where: short stacking energy: -256.905
Base-Backbone interact. energy: -1.016
local terms energy: -257.599301
where:
bonds (distance) C4'-P energy: -45.918
bonds (distance) P-C4' energy: -45.964
flat angles C4'-P-C4' energy: -54.672
flat angles P-C4'-P energy: -41.475
tors. eta vs tors. theta energy: -69.570
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: 4
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -781.176266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.176266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.176266 (E_RNA)
where:
Base-Base interactions energy: -536.763
where: short stacking energy: -215.464
Base-Backbone interact. energy: -1.687
local terms energy: -242.725787
where:
bonds (distance) C4'-P energy: -47.249
bonds (distance) P-C4' energy: -51.253
flat angles C4'-P-C4' energy: -49.234
flat angles P-C4'-P energy: -32.853
tors. eta vs tors. theta energy: -62.137
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: 7
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -784.754028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.754028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.754028 (E_RNA)
where:
Base-Base interactions energy: -561.212
where: short stacking energy: -225.997
Base-Backbone interact. energy: -0.537
local terms energy: -223.005317
where:
bonds (distance) C4'-P energy: -25.864
bonds (distance) P-C4' energy: -45.760
flat angles C4'-P-C4' energy: -48.216
flat angles P-C4'-P energy: -41.183
tors. eta vs tors. theta energy: -61.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -784.583141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.583141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.583141 (E_RNA)
where:
Base-Base interactions energy: -532.065
where: short stacking energy: -242.118
Base-Backbone interact. energy: -0.273
local terms energy: -252.244584
where:
bonds (distance) C4'-P energy: -47.085
bonds (distance) P-C4' energy: -48.831
flat angles C4'-P-C4' energy: -51.540
flat angles P-C4'-P energy: -35.189
tors. eta vs tors. theta energy: -69.599
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: 3
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -728.524806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.524806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.524806 (E_RNA)
where:
Base-Base interactions energy: -497.330
where: short stacking energy: -207.368
Base-Backbone interact. energy: 1.462
local terms energy: -232.656969
where:
bonds (distance) C4'-P energy: -39.870
bonds (distance) P-C4' energy: -40.965
flat angles C4'-P-C4' energy: -50.712
flat angles P-C4'-P energy: -37.253
tors. eta vs tors. theta energy: -63.858
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: 417
Temperature: 1.300000
Total energy: -600.885158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.885158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.885158 (E_RNA)
where:
Base-Base interactions energy: -387.021
where: short stacking energy: -171.597
Base-Backbone interact. energy: -1.047
local terms energy: -212.817826
where:
bonds (distance) C4'-P energy: -47.012
bonds (distance) P-C4' energy: -50.932
flat angles C4'-P-C4' energy: -42.809
flat angles P-C4'-P energy: -29.755
tors. eta vs tors. theta energy: -42.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -234.530627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.530627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.530627 (E_RNA)
where:
Base-Base interactions energy: -75.662
where: short stacking energy: -68.139
Base-Backbone interact. energy: -1.480
local terms energy: -157.388935
where:
bonds (distance) C4'-P energy: -44.760
bonds (distance) P-C4' energy: -51.109
flat angles C4'-P-C4' energy: -43.530
flat angles P-C4'-P energy: -18.516
tors. eta vs tors. theta energy: 0.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -940.168464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.168464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.168464 (E_RNA)
where:
Base-Base interactions energy: -643.883
where: short stacking energy: -271.832
Base-Backbone interact. energy: -0.549
local terms energy: -295.736574
where:
bonds (distance) C4'-P energy: -54.236
bonds (distance) P-C4' energy: -54.645
flat angles C4'-P-C4' energy: -60.500
flat angles P-C4'-P energy: -46.412
tors. eta vs tors. theta energy: -79.944
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: 10
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -881.742724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.742724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.742724 (E_RNA)
where:
Base-Base interactions energy: -591.612
where: short stacking energy: -249.681
Base-Backbone interact. energy: -0.338
local terms energy: -289.792463
where:
bonds (distance) C4'-P energy: -56.823
bonds (distance) P-C4' energy: -57.240
flat angles C4'-P-C4' energy: -57.457
flat angles P-C4'-P energy: -43.777
tors. eta vs tors. theta energy: -74.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -915.495360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.495360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.495360 (E_RNA)
where:
Base-Base interactions energy: -629.259
where: short stacking energy: -266.228
Base-Backbone interact. energy: -1.827
local terms energy: -284.408963
where:
bonds (distance) C4'-P energy: -49.603
bonds (distance) P-C4' energy: -53.700
flat angles C4'-P-C4' energy: -57.079
flat angles P-C4'-P energy: -39.211
tors. eta vs tors. theta energy: -84.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -841.985180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.985180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.985180 (E_RNA)
where:
Base-Base interactions energy: -575.467
where: short stacking energy: -250.140
Base-Backbone interact. energy: -1.565
local terms energy: -264.953483
where:
bonds (distance) C4'-P energy: -49.964
bonds (distance) P-C4' energy: -43.936
flat angles C4'-P-C4' energy: -59.223
flat angles P-C4'-P energy: -37.519
tors. eta vs tors. theta energy: -74.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -819.094567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.094567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.094567 (E_RNA)
where:
Base-Base interactions energy: -560.384
where: short stacking energy: -233.211
Base-Backbone interact. energy: -1.388
local terms energy: -257.322176
where:
bonds (distance) C4'-P energy: -41.782
bonds (distance) P-C4' energy: -53.150
flat angles C4'-P-C4' energy: -57.344
flat angles P-C4'-P energy: -31.848
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: 4
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -771.100321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.100321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.100321 (E_RNA)
where:
Base-Base interactions energy: -542.347
where: short stacking energy: -218.799
Base-Backbone interact. energy: -1.047
local terms energy: -227.706270
where:
bonds (distance) C4'-P energy: -41.036
bonds (distance) P-C4' energy: -34.099
flat angles C4'-P-C4' energy: -49.389
flat angles P-C4'-P energy: -42.192
tors. eta vs tors. theta energy: -60.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -749.007984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.007984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.007984 (E_RNA)
where:
Base-Base interactions energy: -522.471
where: short stacking energy: -222.180
Base-Backbone interact. energy: 0.797
local terms energy: -227.334595
where:
bonds (distance) C4'-P energy: -44.639
bonds (distance) P-C4' energy: -43.146
flat angles C4'-P-C4' energy: -46.434
flat angles P-C4'-P energy: -34.199
tors. eta vs tors. theta energy: -58.917
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: 3
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -746.256249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.256249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.256249 (E_RNA)
where:
Base-Base interactions energy: -512.308
where: short stacking energy: -203.747
Base-Backbone interact. energy: -0.404
local terms energy: -233.544273
where:
bonds (distance) C4'-P energy: -39.951
bonds (distance) P-C4' energy: -50.930
flat angles C4'-P-C4' energy: -46.667
flat angles P-C4'-P energy: -36.874
tors. eta vs tors. theta energy: -59.122
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: 9, replica: 9
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -662.627976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.627976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.627976 (E_RNA)
where:
Base-Base interactions energy: -465.664
where: short stacking energy: -183.738
Base-Backbone interact. energy: 0.187
local terms energy: -197.151314
where:
bonds (distance) C4'-P energy: -39.151
bonds (distance) P-C4' energy: -27.927
flat angles C4'-P-C4' energy: -50.932
flat angles P-C4'-P energy: -30.351
tors. eta vs tors. theta energy: -48.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -245.420371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.420371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.420371 (E_RNA)
where:
Base-Base interactions energy: -85.118
where: short stacking energy: -72.652
Base-Backbone interact. energy: -0.672
local terms energy: -159.630510
where:
bonds (distance) C4'-P energy: -50.689
bonds (distance) P-C4' energy: -37.046
flat angles C4'-P-C4' energy: -38.261
flat angles P-C4'-P energy: -27.177
tors. eta vs tors. theta energy: -6.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -951.124192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.124192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.124192 (E_RNA)
where:
Base-Base interactions energy: -663.370
where: short stacking energy: -283.949
Base-Backbone interact. energy: -0.543
local terms energy: -287.211268
where:
bonds (distance) C4'-P energy: -53.118
bonds (distance) P-C4' energy: -52.905
flat angles C4'-P-C4' energy: -58.504
flat angles P-C4'-P energy: -44.094
tors. eta vs tors. theta energy: -78.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -944.473385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.473385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.473385 (E_RNA)
where:
Base-Base interactions energy: -656.184
where: short stacking energy: -286.195
Base-Backbone interact. energy: -0.412
local terms energy: -287.877830
where:
bonds (distance) C4'-P energy: -50.270
bonds (distance) P-C4' energy: -55.718
flat angles C4'-P-C4' energy: -61.579
flat angles P-C4'-P energy: -36.489
tors. eta vs tors. theta energy: -83.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -875.932932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.932932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.932932 (E_RNA)
where:
Base-Base interactions energy: -621.233
where: short stacking energy: -267.821
Base-Backbone interact. energy: 1.148
local terms energy: -255.848586
where:
bonds (distance) C4'-P energy: -40.951
bonds (distance) P-C4' energy: -53.680
flat angles C4'-P-C4' energy: -51.760
flat angles P-C4'-P energy: -40.144
tors. eta vs tors. theta energy: -69.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -865.731058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.731058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.731058 (E_RNA)
where:
Base-Base interactions energy: -586.750
where: short stacking energy: -268.008
Base-Backbone interact. energy: 0.022
local terms energy: -279.002889
where:
bonds (distance) C4'-P energy: -51.393
bonds (distance) P-C4' energy: -57.709
flat angles C4'-P-C4' energy: -50.800
flat angles P-C4'-P energy: -37.065
tors. eta vs tors. theta energy: -82.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -832.984599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.984599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.984599 (E_RNA)
where:
Base-Base interactions energy: -566.898
where: short stacking energy: -231.319
Base-Backbone interact. energy: -0.342
local terms energy: -265.744144
where:
bonds (distance) C4'-P energy: -50.904
bonds (distance) P-C4' energy: -52.591
flat angles C4'-P-C4' energy: -58.228
flat angles P-C4'-P energy: -40.253
tors. eta vs tors. theta energy: -63.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -778.205521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.205521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.205521 (E_RNA)
where:
Base-Base interactions energy: -544.201
where: short stacking energy: -214.252
Base-Backbone interact. energy: -1.069
local terms energy: -232.935129
where:
bonds (distance) C4'-P energy: -34.631
bonds (distance) P-C4' energy: -54.816
flat angles C4'-P-C4' energy: -48.231
flat angles P-C4'-P energy: -32.999
tors. eta vs tors. theta energy: -62.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -745.327504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.327504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.327504 (E_RNA)
where:
Base-Base interactions energy: -507.931
where: short stacking energy: -207.726
Base-Backbone interact. energy: 0.468
local terms energy: -237.864284
where:
bonds (distance) C4'-P energy: -48.632
bonds (distance) P-C4' energy: -44.358
flat angles C4'-P-C4' energy: -52.079
flat angles P-C4'-P energy: -38.036
tors. eta vs tors. theta energy: -54.759
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: 3
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -728.717790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.717790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.717790 (E_RNA)
where:
Base-Base interactions energy: -513.711
where: short stacking energy: -205.228
Base-Backbone interact. energy: 0.569
local terms energy: -215.575165
where:
bonds (distance) C4'-P energy: -46.743
bonds (distance) P-C4' energy: -40.546
flat angles C4'-P-C4' energy: -43.976
flat angles P-C4'-P energy: -27.549
tors. eta vs tors. theta energy: -56.762
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: 419
Temperature: 1.300000
Total energy: -697.173702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.173702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.173702 (E_RNA)
where:
Base-Base interactions energy: -478.734
where: short stacking energy: -198.382
Base-Backbone interact. energy: 1.765
local terms energy: -220.204882
where:
bonds (distance) C4'-P energy: -34.984
bonds (distance) P-C4' energy: -50.965
flat angles C4'-P-C4' energy: -46.082
flat angles P-C4'-P energy: -33.246
tors. eta vs tors. theta energy: -54.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -236.791354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.791354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.791354 (E_RNA)
where:
Base-Base interactions energy: -82.463
where: short stacking energy: -77.284
Base-Backbone interact. energy: -0.089
local terms energy: -154.239084
where:
bonds (distance) C4'-P energy: -47.589
bonds (distance) P-C4' energy: -42.984
flat angles C4'-P-C4' energy: -34.377
flat angles P-C4'-P energy: -27.851
tors. eta vs tors. theta energy: -1.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -940.633261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.633261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.633261 (E_RNA)
where:
Base-Base interactions energy: -653.965
where: short stacking energy: -279.776
Base-Backbone interact. energy: 0.306
local terms energy: -286.974806
where:
bonds (distance) C4'-P energy: -55.677
bonds (distance) P-C4' energy: -48.844
flat angles C4'-P-C4' energy: -59.798
flat angles P-C4'-P energy: -46.155
tors. eta vs tors. theta energy: -76.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -929.671982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.671982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.671982 (E_RNA)
where:
Base-Base interactions energy: -658.449
where: short stacking energy: -281.038
Base-Backbone interact. energy: 0.779
local terms energy: -272.001501
where:
bonds (distance) C4'-P energy: -40.029
bonds (distance) P-C4' energy: -54.830
flat angles C4'-P-C4' energy: -57.063
flat angles P-C4'-P energy: -40.511
tors. eta vs tors. theta energy: -79.568
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: 10
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -867.431847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.431847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.431847 (E_RNA)
where:
Base-Base interactions energy: -595.780
where: short stacking energy: -263.822
Base-Backbone interact. energy: 0.601
local terms energy: -272.252718
where:
bonds (distance) C4'-P energy: -45.399
bonds (distance) P-C4' energy: -55.483
flat angles C4'-P-C4' energy: -56.668
flat angles P-C4'-P energy: -39.338
tors. eta vs tors. theta energy: -75.365
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: 8
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -846.057102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.057102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.057102 (E_RNA)
where:
Base-Base interactions energy: -592.627
where: short stacking energy: -254.772
Base-Backbone interact. energy: -1.026
local terms energy: -252.403798
where:
bonds (distance) C4'-P energy: -37.102
bonds (distance) P-C4' energy: -58.216
flat angles C4'-P-C4' energy: -46.607
flat angles P-C4'-P energy: -32.838
tors. eta vs tors. theta energy: -77.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -821.005261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.005261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.005261 (E_RNA)
where:
Base-Base interactions energy: -575.605
where: short stacking energy: -230.339
Base-Backbone interact. energy: -1.363
local terms energy: -244.037111
where:
bonds (distance) C4'-P energy: -53.705
bonds (distance) P-C4' energy: -38.444
flat angles C4'-P-C4' energy: -56.615
flat angles P-C4'-P energy: -36.228
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: 6, replica: 5
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -789.499314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.499314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.499314 (E_RNA)
where:
Base-Base interactions energy: -541.194
where: short stacking energy: -247.220
Base-Backbone interact. energy: -0.233
local terms energy: -248.071571
where:
bonds (distance) C4'-P energy: -38.516
bonds (distance) P-C4' energy: -51.295
flat angles C4'-P-C4' energy: -51.176
flat angles P-C4'-P energy: -36.107
tors. eta vs tors. theta energy: -70.978
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: 4
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -737.069062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.069062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.069062 (E_RNA)
where:
Base-Base interactions energy: -505.632
where: short stacking energy: -214.127
Base-Backbone interact. energy: 0.593
local terms energy: -232.030781
where:
bonds (distance) C4'-P energy: -50.605
bonds (distance) P-C4' energy: -48.352
flat angles C4'-P-C4' energy: -43.789
flat angles P-C4'-P energy: -28.621
tors. eta vs tors. theta energy: -60.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -709.932067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.932067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.932067 (E_RNA)
where:
Base-Base interactions energy: -490.339
where: short stacking energy: -197.660
Base-Backbone interact. energy: 0.198
local terms energy: -219.791207
where:
bonds (distance) C4'-P energy: -40.251
bonds (distance) P-C4' energy: -42.665
flat angles C4'-P-C4' energy: -52.490
flat angles P-C4'-P energy: -25.573
tors. eta vs tors. theta energy: -58.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -696.994918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.994918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.994918 (E_RNA)
where:
Base-Base interactions energy: -477.736
where: short stacking energy: -212.828
Base-Backbone interact. energy: -0.506
local terms energy: -218.753647
where:
bonds (distance) C4'-P energy: -40.926
bonds (distance) P-C4' energy: -33.275
flat angles C4'-P-C4' energy: -52.740
flat angles P-C4'-P energy: -34.820
tors. eta vs tors. theta energy: -56.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -226.825654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.825654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.825654 (E_RNA)
where:
Base-Base interactions energy: -76.504
where: short stacking energy: -68.312
Base-Backbone interact. energy: -1.112
local terms energy: -149.209157
where:
bonds (distance) C4'-P energy: -42.264
bonds (distance) P-C4' energy: -47.721
flat angles C4'-P-C4' energy: -38.137
flat angles P-C4'-P energy: -20.739
tors. eta vs tors. theta energy: -0.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -936.251323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.251323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.251323 (E_RNA)
where:
Base-Base interactions energy: -641.308
where: short stacking energy: -280.774
Base-Backbone interact. energy: -1.038
local terms energy: -293.905592
where:
bonds (distance) C4'-P energy: -58.050
bonds (distance) P-C4' energy: -61.940
flat angles C4'-P-C4' energy: -59.653
flat angles P-C4'-P energy: -38.923
tors. eta vs tors. theta energy: -75.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -894.559320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.559320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.559320 (E_RNA)
where:
Base-Base interactions energy: -623.063
where: short stacking energy: -271.743
Base-Backbone interact. energy: -0.576
local terms energy: -270.920405
where:
bonds (distance) C4'-P energy: -45.452
bonds (distance) P-C4' energy: -54.681
flat angles C4'-P-C4' energy: -55.226
flat angles P-C4'-P energy: -39.092
tors. eta vs tors. theta energy: -76.470
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: 421
Temperature: 1.000000
Total energy: -899.704336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.704336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.704336 (E_RNA)
where:
Base-Base interactions energy: -631.484
where: short stacking energy: -259.955
Base-Backbone interact. energy: -1.541
local terms energy: -266.680144
where:
bonds (distance) C4'-P energy: -46.603
bonds (distance) P-C4' energy: -55.117
flat angles C4'-P-C4' energy: -58.153
flat angles P-C4'-P energy: -36.807
tors. eta vs tors. theta energy: -70.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -869.006498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.006498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.006498 (E_RNA)
where:
Base-Base interactions energy: -586.877
where: short stacking energy: -256.907
Base-Backbone interact. energy: -0.013
local terms energy: -282.116733
where:
bonds (distance) C4'-P energy: -39.333
bonds (distance) P-C4' energy: -54.252
flat angles C4'-P-C4' energy: -65.422
flat angles P-C4'-P energy: -44.635
tors. eta vs tors. theta energy: -78.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -801.738904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.738904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.738904 (E_RNA)
where:
Base-Base interactions energy: -574.359
where: short stacking energy: -231.787
Base-Backbone interact. energy: 1.348
local terms energy: -228.727957
where:
bonds (distance) C4'-P energy: -31.181
bonds (distance) P-C4' energy: -44.325
flat angles C4'-P-C4' energy: -48.837
flat angles P-C4'-P energy: -42.542
tors. eta vs tors. theta energy: -61.842
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: 4
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -796.937020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.937020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.937020 (E_RNA)
where:
Base-Base interactions energy: -542.287
where: short stacking energy: -237.979
Base-Backbone interact. energy: -0.148
local terms energy: -254.502602
where:
bonds (distance) C4'-P energy: -51.560
bonds (distance) P-C4' energy: -46.381
flat angles C4'-P-C4' energy: -52.333
flat angles P-C4'-P energy: -33.941
tors. eta vs tors. theta energy: -70.288
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: 5
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -746.266402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.266402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.266402 (E_RNA)
where:
Base-Base interactions energy: -508.145
where: short stacking energy: -220.010
Base-Backbone interact. energy: 0.374
local terms energy: -238.495192
where:
bonds (distance) C4'-P energy: -52.271
bonds (distance) P-C4' energy: -41.203
flat angles C4'-P-C4' energy: -50.165
flat angles P-C4'-P energy: -35.779
tors. eta vs tors. theta energy: -59.077
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: 3
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -692.789997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.789997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.789997 (E_RNA)
where:
Base-Base interactions energy: -469.477
where: short stacking energy: -194.650
Base-Backbone interact. energy: 2.562
local terms energy: -225.875448
where:
bonds (distance) C4'-P energy: -43.260
bonds (distance) P-C4' energy: -43.200
flat angles C4'-P-C4' energy: -52.015
flat angles P-C4'-P energy: -36.919
tors. eta vs tors. theta energy: -50.482
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: 421
Temperature: 1.300000
Total energy: -599.902080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.902080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.902080 (E_RNA)
where:
Base-Base interactions energy: -366.712
where: short stacking energy: -158.910
Base-Backbone interact. energy: 1.112
local terms energy: -234.302582
where:
bonds (distance) C4'-P energy: -51.985
bonds (distance) P-C4' energy: -50.776
flat angles C4'-P-C4' energy: -50.559
flat angles P-C4'-P energy: -38.372
tors. eta vs tors. theta energy: -42.610
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: 6
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -311.794356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.794356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.794356 (E_RNA)
where:
Base-Base interactions energy: -156.511
where: short stacking energy: -91.916
Base-Backbone interact. energy: 3.153
local terms energy: -158.436644
where:
bonds (distance) C4'-P energy: -42.140
bonds (distance) P-C4' energy: -41.127
flat angles C4'-P-C4' energy: -49.352
flat angles P-C4'-P energy: -19.283
tors. eta vs tors. theta energy: -6.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -934.114507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.114507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.114507 (E_RNA)
where:
Base-Base interactions energy: -652.554
where: short stacking energy: -291.476
Base-Backbone interact. energy: 0.218
local terms energy: -281.777773
where:
bonds (distance) C4'-P energy: -44.150
bonds (distance) P-C4' energy: -52.602
flat angles C4'-P-C4' energy: -62.152
flat angles P-C4'-P energy: -38.398
tors. eta vs tors. theta energy: -84.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -889.766004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.766004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.766004 (E_RNA)
where:
Base-Base interactions energy: -619.827
where: short stacking energy: -270.058
Base-Backbone interact. energy: -0.230
local terms energy: -269.708777
where:
bonds (distance) C4'-P energy: -45.702
bonds (distance) P-C4' energy: -52.133
flat angles C4'-P-C4' energy: -55.216
flat angles P-C4'-P energy: -39.002
tors. eta vs tors. theta energy: -77.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -903.626322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.626322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.626322 (E_RNA)
where:
Base-Base interactions energy: -633.931
where: short stacking energy: -269.848
Base-Backbone interact. energy: -1.625
local terms energy: -268.070484
where:
bonds (distance) C4'-P energy: -40.302
bonds (distance) P-C4' energy: -45.018
flat angles C4'-P-C4' energy: -60.997
flat angles P-C4'-P energy: -40.510
tors. eta vs tors. theta energy: -81.244
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: 8
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -839.374593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.374593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.374593 (E_RNA)
where:
Base-Base interactions energy: -593.141
where: short stacking energy: -256.736
Base-Backbone interact. energy: -0.528
local terms energy: -245.705469
where:
bonds (distance) C4'-P energy: -44.967
bonds (distance) P-C4' energy: -44.378
flat angles C4'-P-C4' energy: -48.696
flat angles P-C4'-P energy: -32.364
tors. eta vs tors. theta energy: -75.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -815.706234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.706234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.706234 (E_RNA)
where:
Base-Base interactions energy: -557.117
where: short stacking energy: -236.968
Base-Backbone interact. energy: -1.073
local terms energy: -257.516338
where:
bonds (distance) C4'-P energy: -47.026
bonds (distance) P-C4' energy: -52.804
flat angles C4'-P-C4' energy: -47.941
flat angles P-C4'-P energy: -41.054
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: 6, replica: 4
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -784.879868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.879868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.879868 (E_RNA)
where:
Base-Base interactions energy: -543.218
where: short stacking energy: -236.436
Base-Backbone interact. energy: 4.129
local terms energy: -245.791076
where:
bonds (distance) C4'-P energy: -41.569
bonds (distance) P-C4' energy: -45.789
flat angles C4'-P-C4' energy: -55.008
flat angles P-C4'-P energy: -32.776
tors. eta vs tors. theta energy: -70.650
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: 7, replica: 3
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -704.328925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.328925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.328925 (E_RNA)
where:
Base-Base interactions energy: -485.817
where: short stacking energy: -188.114
Base-Backbone interact. energy: -1.120
local terms energy: -217.392105
where:
bonds (distance) C4'-P energy: -39.612
bonds (distance) P-C4' energy: -38.218
flat angles C4'-P-C4' energy: -48.913
flat angles P-C4'-P energy: -39.676
tors. eta vs tors. theta energy: -50.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -770.558648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.558648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.558648 (E_RNA)
where:
Base-Base interactions energy: -532.608
where: short stacking energy: -227.781
Base-Backbone interact. energy: 1.718
local terms energy: -239.668819
where:
bonds (distance) C4'-P energy: -41.534
bonds (distance) P-C4' energy: -50.200
flat angles C4'-P-C4' energy: -41.788
flat angles P-C4'-P energy: -38.900
tors. eta vs tors. theta energy: -67.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -590.128326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.128326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.128326 (E_RNA)
where:
Base-Base interactions energy: -405.449
where: short stacking energy: -168.423
Base-Backbone interact. energy: 0.396
local terms energy: -185.075711
where:
bonds (distance) C4'-P energy: -41.666
bonds (distance) P-C4' energy: -28.144
flat angles C4'-P-C4' energy: -47.707
flat angles P-C4'-P energy: -28.821
tors. eta vs tors. theta energy: -38.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -288.899246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.899246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.899246 (E_RNA)
where:
Base-Base interactions energy: -160.177
where: short stacking energy: -84.819
Base-Backbone interact. energy: 2.172
local terms energy: -130.893924
where:
bonds (distance) C4'-P energy: -44.797
bonds (distance) P-C4' energy: -31.704
flat angles C4'-P-C4' energy: -35.878
flat angles P-C4'-P energy: -24.380
tors. eta vs tors. theta energy: 5.865
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: 1, replica: 1
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -935.059731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.059731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.059731 (E_RNA)
where:
Base-Base interactions energy: -658.932
where: short stacking energy: -284.163
Base-Backbone interact. energy: -1.115
local terms energy: -275.013184
where:
bonds (distance) C4'-P energy: -46.815
bonds (distance) P-C4' energy: -49.718
flat angles C4'-P-C4' energy: -56.646
flat angles P-C4'-P energy: -37.819
tors. eta vs tors. theta energy: -84.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -910.290261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.290261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.290261 (E_RNA)
where:
Base-Base interactions energy: -628.765
where: short stacking energy: -257.117
Base-Backbone interact. energy: -1.119
local terms energy: -280.406170
where:
bonds (distance) C4'-P energy: -48.650
bonds (distance) P-C4' energy: -49.994
flat angles C4'-P-C4' energy: -62.584
flat angles P-C4'-P energy: -38.944
tors. eta vs tors. theta energy: -80.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -857.332330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.332330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.332330 (E_RNA)
where:
Base-Base interactions energy: -605.322
where: short stacking energy: -244.516
Base-Backbone interact. energy: -1.683
local terms energy: -250.328112
where:
bonds (distance) C4'-P energy: -37.847
bonds (distance) P-C4' energy: -50.861
flat angles C4'-P-C4' energy: -54.261
flat angles P-C4'-P energy: -39.402
tors. eta vs tors. theta energy: -67.957
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: 7
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -837.254728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.254728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.254728 (E_RNA)
where:
Base-Base interactions energy: -568.659
where: short stacking energy: -239.361
Base-Backbone interact. energy: -0.503
local terms energy: -268.092992
where:
bonds (distance) C4'-P energy: -58.886
bonds (distance) P-C4' energy: -52.322
flat angles C4'-P-C4' energy: -52.198
flat angles P-C4'-P energy: -34.643
tors. eta vs tors. theta energy: -70.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -826.724698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.724698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.724698 (E_RNA)
where:
Base-Base interactions energy: -569.649
where: short stacking energy: -236.816
Base-Backbone interact. energy: -2.463
local terms energy: -254.612834
where:
bonds (distance) C4'-P energy: -44.615
bonds (distance) P-C4' energy: -48.297
flat angles C4'-P-C4' energy: -56.070
flat angles P-C4'-P energy: -37.031
tors. eta vs tors. theta energy: -68.600
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: 6, replica: 4
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -755.312744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.312744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.312744 (E_RNA)
where:
Base-Base interactions energy: -521.151
where: short stacking energy: -207.228
Base-Backbone interact. energy: -1.576
local terms energy: -232.586304
where:
bonds (distance) C4'-P energy: -45.685
bonds (distance) P-C4' energy: -44.606
flat angles C4'-P-C4' energy: -55.094
flat angles P-C4'-P energy: -30.573
tors. eta vs tors. theta energy: -56.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -711.215594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.215594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.215594 (E_RNA)
where:
Base-Base interactions energy: -496.622
where: short stacking energy: -203.702
Base-Backbone interact. energy: -0.512
local terms energy: -214.082170
where:
bonds (distance) C4'-P energy: -39.591
bonds (distance) P-C4' energy: -49.414
flat angles C4'-P-C4' energy: -44.736
flat angles P-C4'-P energy: -26.248
tors. eta vs tors. theta energy: -54.094
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: 8, replica: 5
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -781.940860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.940860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.940860 (E_RNA)
where:
Base-Base interactions energy: -527.359
where: short stacking energy: -218.583
Base-Backbone interact. energy: -0.526
local terms energy: -254.055719
where:
bonds (distance) C4'-P energy: -55.141
bonds (distance) P-C4' energy: -54.062
flat angles C4'-P-C4' energy: -48.061
flat angles P-C4'-P energy: -32.334
tors. eta vs tors. theta energy: -64.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -612.186544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.186544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.186544 (E_RNA)
where:
Base-Base interactions energy: -409.458
where: short stacking energy: -177.884
Base-Backbone interact. energy: -1.355
local terms energy: -201.373787
where:
bonds (distance) C4'-P energy: -30.650
bonds (distance) P-C4' energy: -50.511
flat angles C4'-P-C4' energy: -45.450
flat angles P-C4'-P energy: -30.813
tors. eta vs tors. theta energy: -43.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -285.162278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.162278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.162278 (E_RNA)
where:
Base-Base interactions energy: -136.953
where: short stacking energy: -69.651
Base-Backbone interact. energy: -0.438
local terms energy: -147.770887
where:
bonds (distance) C4'-P energy: -46.125
bonds (distance) P-C4' energy: -40.938
flat angles C4'-P-C4' energy: -44.120
flat angles P-C4'-P energy: -24.544
tors. eta vs tors. theta energy: 7.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -942.605571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.605571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.605571 (E_RNA)
where:
Base-Base interactions energy: -644.705
where: short stacking energy: -263.735
Base-Backbone interact. energy: -1.031
local terms energy: -296.869799
where:
bonds (distance) C4'-P energy: -54.037
bonds (distance) P-C4' energy: -51.829
flat angles C4'-P-C4' energy: -62.888
flat angles P-C4'-P energy: -46.116
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: 1
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -932.179951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.179951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.179951 (E_RNA)
where:
Base-Base interactions energy: -645.091
where: short stacking energy: -291.536
Base-Backbone interact. energy: -1.453
local terms energy: -285.635326
where:
bonds (distance) C4'-P energy: -47.513
bonds (distance) P-C4' energy: -55.154
flat angles C4'-P-C4' energy: -58.281
flat angles P-C4'-P energy: -40.663
tors. eta vs tors. theta energy: -84.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -874.477986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.477986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.477986 (E_RNA)
where:
Base-Base interactions energy: -602.141
where: short stacking energy: -260.229
Base-Backbone interact. energy: 0.703
local terms energy: -273.039539
where:
bonds (distance) C4'-P energy: -53.120
bonds (distance) P-C4' energy: -47.578
flat angles C4'-P-C4' energy: -56.560
flat angles P-C4'-P energy: -37.392
tors. eta vs tors. theta energy: -78.390
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: -818.304884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.304884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.304884 (E_RNA)
where:
Base-Base interactions energy: -568.731
where: short stacking energy: -233.261
Base-Backbone interact. energy: -1.207
local terms energy: -248.367692
where:
bonds (distance) C4'-P energy: -51.718
bonds (distance) P-C4' energy: -52.160
flat angles C4'-P-C4' energy: -53.306
flat angles P-C4'-P energy: -34.262
tors. eta vs tors. theta energy: -56.921
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: 8
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -825.212061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.212061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.212061 (E_RNA)
where:
Base-Base interactions energy: -564.513
where: short stacking energy: -238.200
Base-Backbone interact. energy: -0.845
local terms energy: -259.853640
where:
bonds (distance) C4'-P energy: -41.666
bonds (distance) P-C4' energy: -46.198
flat angles C4'-P-C4' energy: -48.284
flat angles P-C4'-P energy: -44.481
tors. eta vs tors. theta energy: -79.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -756.066682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.066682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.066682 (E_RNA)
where:
Base-Base interactions energy: -524.356
where: short stacking energy: -207.387
Base-Backbone interact. energy: -1.753
local terms energy: -229.958225
where:
bonds (distance) C4'-P energy: -47.445
bonds (distance) P-C4' energy: -45.827
flat angles C4'-P-C4' energy: -50.144
flat angles P-C4'-P energy: -31.156
tors. eta vs tors. theta energy: -55.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -777.049396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.049396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.049396 (E_RNA)
where:
Base-Base interactions energy: -539.688
where: short stacking energy: -231.845
Base-Backbone interact. energy: -0.668
local terms energy: -236.693573
where:
bonds (distance) C4'-P energy: -36.496
bonds (distance) P-C4' energy: -43.036
flat angles C4'-P-C4' energy: -56.071
flat angles P-C4'-P energy: -34.146
tors. eta vs tors. theta energy: -66.943
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: 3
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -696.487473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.487473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.487473 (E_RNA)
where:
Base-Base interactions energy: -487.343
where: short stacking energy: -209.757
Base-Backbone interact. energy: -1.519
local terms energy: -207.625406
where:
bonds (distance) C4'-P energy: -38.220
bonds (distance) P-C4' energy: -40.275
flat angles C4'-P-C4' energy: -47.760
flat angles P-C4'-P energy: -36.336
tors. eta vs tors. theta energy: -45.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -585.392878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.392878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.392878 (E_RNA)
where:
Base-Base interactions energy: -374.945
where: short stacking energy: -166.861
Base-Backbone interact. energy: -0.286
local terms energy: -210.161757
where:
bonds (distance) C4'-P energy: -42.396
bonds (distance) P-C4' energy: -47.550
flat angles C4'-P-C4' energy: -53.688
flat angles P-C4'-P energy: -26.228
tors. eta vs tors. theta energy: -40.300
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: 6
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -246.650670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.650670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.650670 (E_RNA)
where:
Base-Base interactions energy: -108.135
where: short stacking energy: -70.214
Base-Backbone interact. energy: -0.503
local terms energy: -138.012724
where:
bonds (distance) C4'-P energy: -36.890
bonds (distance) P-C4' energy: -39.353
flat angles C4'-P-C4' energy: -34.924
flat angles P-C4'-P energy: -26.473
tors. eta vs tors. theta energy: -0.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -949.105826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.105826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.105826 (E_RNA)
where:
Base-Base interactions energy: -647.654
where: short stacking energy: -275.734
Base-Backbone interact. energy: -0.670
local terms energy: -300.781790
where:
bonds (distance) C4'-P energy: -59.186
bonds (distance) P-C4' energy: -52.533
flat angles C4'-P-C4' energy: -62.392
flat angles P-C4'-P energy: -44.343
tors. eta vs tors. theta energy: -82.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -935.788814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.788814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.788814 (E_RNA)
where:
Base-Base interactions energy: -640.074
where: short stacking energy: -284.643
Base-Backbone interact. energy: -0.072
local terms energy: -295.643315
where:
bonds (distance) C4'-P energy: -54.585
bonds (distance) P-C4' energy: -58.165
flat angles C4'-P-C4' energy: -59.520
flat angles P-C4'-P energy: -40.751
tors. eta vs tors. theta energy: -82.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -872.585025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.585025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.585025 (E_RNA)
where:
Base-Base interactions energy: -600.706
where: short stacking energy: -263.184
Base-Backbone interact. energy: -0.491
local terms energy: -271.388225
where:
bonds (distance) C4'-P energy: -49.908
bonds (distance) P-C4' energy: -53.196
flat angles C4'-P-C4' energy: -58.904
flat angles P-C4'-P energy: -37.575
tors. eta vs tors. theta energy: -71.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -864.501457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.501457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.501457 (E_RNA)
where:
Base-Base interactions energy: -585.937
where: short stacking energy: -260.589
Base-Backbone interact. energy: -1.894
local terms energy: -276.669895
where:
bonds (distance) C4'-P energy: -52.467
bonds (distance) P-C4' energy: -49.658
flat angles C4'-P-C4' energy: -57.249
flat angles P-C4'-P energy: -38.259
tors. eta vs tors. theta energy: -79.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -794.461222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.461222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.461222 (E_RNA)
where:
Base-Base interactions energy: -540.595
where: short stacking energy: -223.253
Base-Backbone interact. energy: -0.367
local terms energy: -253.498975
where:
bonds (distance) C4'-P energy: -45.996
bonds (distance) P-C4' energy: -54.716
flat angles C4'-P-C4' energy: -61.095
flat angles P-C4'-P energy: -36.433
tors. eta vs tors. theta energy: -55.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -787.070038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.070038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.070038 (E_RNA)
where:
Base-Base interactions energy: -541.428
where: short stacking energy: -215.857
Base-Backbone interact. energy: -1.166
local terms energy: -244.476587
where:
bonds (distance) C4'-P energy: -49.201
bonds (distance) P-C4' energy: -53.741
flat angles C4'-P-C4' energy: -53.938
flat angles P-C4'-P energy: -33.183
tors. eta vs tors. theta energy: -54.413
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: 7, replica: 5
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -745.678239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.678239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.678239 (E_RNA)
where:
Base-Base interactions energy: -518.818
where: short stacking energy: -216.021
Base-Backbone interact. energy: -1.127
local terms energy: -225.732651
where:
bonds (distance) C4'-P energy: -40.945
bonds (distance) P-C4' energy: -46.237
flat angles C4'-P-C4' energy: -43.593
flat angles P-C4'-P energy: -32.946
tors. eta vs tors. theta energy: -62.012
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: 3
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -703.615306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.615306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.615306 (E_RNA)
where:
Base-Base interactions energy: -478.717
where: short stacking energy: -208.051
Base-Backbone interact. energy: -0.159
local terms energy: -224.739457
where:
bonds (distance) C4'-P energy: -44.904
bonds (distance) P-C4' energy: -52.034
flat angles C4'-P-C4' energy: -45.782
flat angles P-C4'-P energy: -29.194
tors. eta vs tors. theta energy: -52.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -590.550637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.550637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.550637 (E_RNA)
where:
Base-Base interactions energy: -397.306
where: short stacking energy: -169.405
Base-Backbone interact. energy: -0.756
local terms energy: -192.489428
where:
bonds (distance) C4'-P energy: -36.024
bonds (distance) P-C4' energy: -40.894
flat angles C4'-P-C4' energy: -47.711
flat angles P-C4'-P energy: -33.298
tors. eta vs tors. theta energy: -34.562
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: 6
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -220.188871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.188871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.188871 (E_RNA)
where:
Base-Base interactions energy: -77.302
where: short stacking energy: -59.542
Base-Backbone interact. energy: -1.885
local terms energy: -141.002122
where:
bonds (distance) C4'-P energy: -50.414
bonds (distance) P-C4' energy: -52.470
flat angles C4'-P-C4' energy: -38.591
flat angles P-C4'-P energy: -6.250
tors. eta vs tors. theta energy: 6.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -950.664411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.664411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.664411 (E_RNA)
where:
Base-Base interactions energy: -654.616
where: short stacking energy: -281.936
Base-Backbone interact. energy: -1.194
local terms energy: -294.854818
where:
bonds (distance) C4'-P energy: -44.989
bonds (distance) P-C4' energy: -49.913
flat angles C4'-P-C4' energy: -67.353
flat angles P-C4'-P energy: -47.543
tors. eta vs tors. theta energy: -85.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -936.823681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.823681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.823681 (E_RNA)
where:
Base-Base interactions energy: -651.639
where: short stacking energy: -284.914
Base-Backbone interact. energy: -0.881
local terms energy: -284.303654
where:
bonds (distance) C4'-P energy: -45.185
bonds (distance) P-C4' energy: -52.316
flat angles C4'-P-C4' energy: -60.899
flat angles P-C4'-P energy: -41.883
tors. eta vs tors. theta energy: -84.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -875.377362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.377362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.377362 (E_RNA)
where:
Base-Base interactions energy: -617.607
where: short stacking energy: -255.888
Base-Backbone interact. energy: -0.224
local terms energy: -257.546301
where:
bonds (distance) C4'-P energy: -43.238
bonds (distance) P-C4' energy: -46.154
flat angles C4'-P-C4' energy: -51.105
flat angles P-C4'-P energy: -35.452
tors. eta vs tors. theta energy: -81.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -866.390513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.390513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.390513 (E_RNA)
where:
Base-Base interactions energy: -606.452
where: short stacking energy: -266.899
Base-Backbone interact. energy: -0.516
local terms energy: -259.422082
where:
bonds (distance) C4'-P energy: -43.769
bonds (distance) P-C4' energy: -42.208
flat angles C4'-P-C4' energy: -59.408
flat angles P-C4'-P energy: -37.268
tors. eta vs tors. theta energy: -76.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -802.360195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.360195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.360195 (E_RNA)
where:
Base-Base interactions energy: -557.901
where: short stacking energy: -241.274
Base-Backbone interact. energy: -0.400
local terms energy: -244.058470
where:
bonds (distance) C4'-P energy: -41.254
bonds (distance) P-C4' energy: -52.101
flat angles C4'-P-C4' energy: -49.944
flat angles P-C4'-P energy: -35.155
tors. eta vs tors. theta energy: -65.604
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: 10
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -778.850580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.850580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.850580 (E_RNA)
where:
Base-Base interactions energy: -545.361
where: short stacking energy: -226.759
Base-Backbone interact. energy: 1.450
local terms energy: -234.939476
where:
bonds (distance) C4'-P energy: -47.418
bonds (distance) P-C4' energy: -46.554
flat angles C4'-P-C4' energy: -48.613
flat angles P-C4'-P energy: -32.047
tors. eta vs tors. theta energy: -60.308
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: 5
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -776.701350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.701350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.701350 (E_RNA)
where:
Base-Base interactions energy: -550.673
where: short stacking energy: -217.203
Base-Backbone interact. energy: 3.655
local terms energy: -229.682971
where:
bonds (distance) C4'-P energy: -44.956
bonds (distance) P-C4' energy: -53.568
flat angles C4'-P-C4' energy: -42.589
flat angles P-C4'-P energy: -33.990
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: 8, replica: 3
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -663.649010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.649010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.649010 (E_RNA)
where:
Base-Base interactions energy: -450.215
where: short stacking energy: -177.240
Base-Backbone interact. energy: -0.730
local terms energy: -212.704270
where:
bonds (distance) C4'-P energy: -34.881
bonds (distance) P-C4' energy: -52.935
flat angles C4'-P-C4' energy: -47.128
flat angles P-C4'-P energy: -32.254
tors. eta vs tors. theta energy: -45.507
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: 426
Temperature: 1.300000
Total energy: -534.216252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.216252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.216252 (E_RNA)
where:
Base-Base interactions energy: -352.928
where: short stacking energy: -164.155
Base-Backbone interact. energy: 0.369
local terms energy: -181.657644
where:
bonds (distance) C4'-P energy: -37.478
bonds (distance) P-C4' energy: -42.463
flat angles C4'-P-C4' energy: -25.667
flat angles P-C4'-P energy: -28.409
tors. eta vs tors. theta energy: -47.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -225.004007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.004007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.004007 (E_RNA)
where:
Base-Base interactions energy: -82.710
where: short stacking energy: -71.088
Base-Backbone interact. energy: -0.579
local terms energy: -141.714522
where:
bonds (distance) C4'-P energy: -33.073
bonds (distance) P-C4' energy: -43.364
flat angles C4'-P-C4' energy: -39.030
flat angles P-C4'-P energy: -26.049
tors. eta vs tors. theta energy: -0.198
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: 1
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -960.922328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.922328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.922328 (E_RNA)
where:
Base-Base interactions energy: -665.161
where: short stacking energy: -288.587
Base-Backbone interact. energy: -0.695
local terms energy: -295.065623
where:
bonds (distance) C4'-P energy: -49.412
bonds (distance) P-C4' energy: -58.097
flat angles C4'-P-C4' energy: -60.200
flat angles P-C4'-P energy: -42.963
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: 8
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -898.324877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.324877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.324877 (E_RNA)
where:
Base-Base interactions energy: -608.493
where: short stacking energy: -261.222
Base-Backbone interact. energy: -1.308
local terms energy: -288.523793
where:
bonds (distance) C4'-P energy: -50.129
bonds (distance) P-C4' energy: -54.177
flat angles C4'-P-C4' energy: -62.270
flat angles P-C4'-P energy: -41.781
tors. eta vs tors. theta energy: -80.167
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: 2
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -907.178620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.178620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.178620 (E_RNA)
where:
Base-Base interactions energy: -640.775
where: short stacking energy: -281.518
Base-Backbone interact. energy: 1.179
local terms energy: -267.582640
where:
bonds (distance) C4'-P energy: -39.356
bonds (distance) P-C4' energy: -49.780
flat angles C4'-P-C4' energy: -49.413
flat angles P-C4'-P energy: -41.152
tors. eta vs tors. theta energy: -87.882
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: 7
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -834.830893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.830893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.830893 (E_RNA)
where:
Base-Base interactions energy: -584.916
where: short stacking energy: -246.452
Base-Backbone interact. energy: 3.469
local terms energy: -253.384082
where:
bonds (distance) C4'-P energy: -48.240
bonds (distance) P-C4' energy: -45.410
flat angles C4'-P-C4' energy: -52.437
flat angles P-C4'-P energy: -36.278
tors. eta vs tors. theta energy: -71.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -822.667373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.667373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.667373 (E_RNA)
where:
Base-Base interactions energy: -574.983
where: short stacking energy: -228.539
Base-Backbone interact. energy: 3.375
local terms energy: -251.059411
where:
bonds (distance) C4'-P energy: -44.810
bonds (distance) P-C4' energy: -45.579
flat angles C4'-P-C4' energy: -55.539
flat angles P-C4'-P energy: -39.401
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: 6, replica: 10
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -784.820013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.820013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.820013 (E_RNA)
where:
Base-Base interactions energy: -540.645
where: short stacking energy: -221.843
Base-Backbone interact. energy: -0.935
local terms energy: -243.239681
where:
bonds (distance) C4'-P energy: -46.119
bonds (distance) P-C4' energy: -42.615
flat angles C4'-P-C4' energy: -54.771
flat angles P-C4'-P energy: -30.401
tors. eta vs tors. theta energy: -69.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -746.324787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.324787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.324787 (E_RNA)
where:
Base-Base interactions energy: -496.352
where: short stacking energy: -201.552
Base-Backbone interact. energy: -1.007
local terms energy: -248.966002
where:
bonds (distance) C4'-P energy: -52.481
bonds (distance) P-C4' energy: -49.386
flat angles C4'-P-C4' energy: -55.458
flat angles P-C4'-P energy: -33.332
tors. eta vs tors. theta energy: -58.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -687.414446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.414446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.414446 (E_RNA)
where:
Base-Base interactions energy: -471.013
where: short stacking energy: -200.672
Base-Backbone interact. energy: -1.519
local terms energy: -214.881884
where:
bonds (distance) C4'-P energy: -41.966
bonds (distance) P-C4' energy: -49.040
flat angles C4'-P-C4' energy: -49.040
flat angles P-C4'-P energy: -26.340
tors. eta vs tors. theta energy: -48.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -569.403119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.403119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.403119 (E_RNA)
where:
Base-Base interactions energy: -373.591
where: short stacking energy: -166.454
Base-Backbone interact. energy: 4.116
local terms energy: -199.928275
where:
bonds (distance) C4'-P energy: -36.896
bonds (distance) P-C4' energy: -51.122
flat angles C4'-P-C4' energy: -44.426
flat angles P-C4'-P energy: -26.481
tors. eta vs tors. theta energy: -41.004
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: 10, replica: 6
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -219.488300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.488300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.488300 (E_RNA)
where:
Base-Base interactions energy: -69.720
where: short stacking energy: -63.707
Base-Backbone interact. energy: -1.231
local terms energy: -148.536830
where:
bonds (distance) C4'-P energy: -41.313
bonds (distance) P-C4' energy: -44.747
flat angles C4'-P-C4' energy: -51.059
flat angles P-C4'-P energy: -15.437
tors. eta vs tors. theta energy: 4.018
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: 1, replica: 1
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -967.558829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.558829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.558829 (E_RNA)
where:
Base-Base interactions energy: -674.966
where: short stacking energy: -297.423
Base-Backbone interact. energy: -0.807
local terms energy: -291.785750
where:
bonds (distance) C4'-P energy: -51.458
bonds (distance) P-C4' energy: -50.751
flat angles C4'-P-C4' energy: -60.987
flat angles P-C4'-P energy: -41.909
tors. eta vs tors. theta energy: -86.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -883.297761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.297761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.297761 (E_RNA)
where:
Base-Base interactions energy: -603.254
where: short stacking energy: -264.947
Base-Backbone interact. energy: -1.491
local terms energy: -278.552472
where:
bonds (distance) C4'-P energy: -52.076
bonds (distance) P-C4' energy: -48.035
flat angles C4'-P-C4' energy: -59.266
flat angles P-C4'-P energy: -39.736
tors. eta vs tors. theta energy: -79.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -920.591110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.591110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.591110 (E_RNA)
where:
Base-Base interactions energy: -630.962
where: short stacking energy: -276.042
Base-Backbone interact. energy: -1.089
local terms energy: -288.540563
where:
bonds (distance) C4'-P energy: -58.252
bonds (distance) P-C4' energy: -54.607
flat angles C4'-P-C4' energy: -61.663
flat angles P-C4'-P energy: -32.578
tors. eta vs tors. theta energy: -81.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -824.348001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.348001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.348001 (E_RNA)
where:
Base-Base interactions energy: -576.700
where: short stacking energy: -246.625
Base-Backbone interact. energy: -0.190
local terms energy: -247.457565
where:
bonds (distance) C4'-P energy: -47.165
bonds (distance) P-C4' energy: -47.955
flat angles C4'-P-C4' energy: -52.882
flat angles P-C4'-P energy: -31.024
tors. eta vs tors. theta energy: -68.430
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: 4
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -855.519111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.519111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.519111 (E_RNA)
where:
Base-Base interactions energy: -607.792
where: short stacking energy: -253.298
Base-Backbone interact. energy: 1.894
local terms energy: -249.621384
where:
bonds (distance) C4'-P energy: -37.007
bonds (distance) P-C4' energy: -49.789
flat angles C4'-P-C4' energy: -52.473
flat angles P-C4'-P energy: -33.395
tors. eta vs tors. theta energy: -76.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -790.855465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.855465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.855465 (E_RNA)
where:
Base-Base interactions energy: -543.403
where: short stacking energy: -231.948
Base-Backbone interact. energy: -0.165
local terms energy: -247.287159
where:
bonds (distance) C4'-P energy: -45.308
bonds (distance) P-C4' energy: -40.140
flat angles C4'-P-C4' energy: -57.059
flat angles P-C4'-P energy: -38.711
tors. eta vs tors. theta energy: -66.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -740.470681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.470681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.470681 (E_RNA)
where:
Base-Base interactions energy: -498.243
where: short stacking energy: -208.237
Base-Backbone interact. energy: -0.687
local terms energy: -241.540168
where:
bonds (distance) C4'-P energy: -47.700
bonds (distance) P-C4' energy: -52.585
flat angles C4'-P-C4' energy: -51.739
flat angles P-C4'-P energy: -32.293
tors. eta vs tors. theta energy: -57.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -734.214922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.214922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.214922 (E_RNA)
where:
Base-Base interactions energy: -483.289
where: short stacking energy: -203.723
Base-Backbone interact. energy: -1.606
local terms energy: -249.319951
where:
bonds (distance) C4'-P energy: -51.443
bonds (distance) P-C4' energy: -48.246
flat angles C4'-P-C4' energy: -54.502
flat angles P-C4'-P energy: -35.674
tors. eta vs tors. theta energy: -59.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -534.158531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.158531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.158531 (E_RNA)
where:
Base-Base interactions energy: -349.097
where: short stacking energy: -161.541
Base-Backbone interact. energy: 1.622
local terms energy: -186.683404
where:
bonds (distance) C4'-P energy: -42.288
bonds (distance) P-C4' energy: -45.229
flat angles C4'-P-C4' energy: -42.771
flat angles P-C4'-P energy: -25.748
tors. eta vs tors. theta energy: -30.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -234.331303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.331303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.331303 (E_RNA)
where:
Base-Base interactions energy: -88.502
where: short stacking energy: -83.135
Base-Backbone interact. energy: -0.521
local terms energy: -145.308281
where:
bonds (distance) C4'-P energy: -47.047
bonds (distance) P-C4' energy: -36.929
flat angles C4'-P-C4' energy: -36.160
flat angles P-C4'-P energy: -26.041
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: 1, replica: 1
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -973.954571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.954571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.954571 (E_RNA)
where:
Base-Base interactions energy: -678.086
where: short stacking energy: -285.768
Base-Backbone interact. energy: 0.612
local terms energy: -296.480292
where:
bonds (distance) C4'-P energy: -55.916
bonds (distance) P-C4' energy: -48.264
flat angles C4'-P-C4' energy: -59.144
flat angles P-C4'-P energy: -45.525
tors. eta vs tors. theta energy: -87.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -904.136049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.136049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.136049 (E_RNA)
where:
Base-Base interactions energy: -619.868
where: short stacking energy: -264.946
Base-Backbone interact. energy: -1.659
local terms energy: -282.609011
where:
bonds (distance) C4'-P energy: -52.898
bonds (distance) P-C4' energy: -57.767
flat angles C4'-P-C4' energy: -57.749
flat angles P-C4'-P energy: -32.224
tors. eta vs tors. theta energy: -81.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -848.975148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.975148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.975148 (E_RNA)
where:
Base-Base interactions energy: -578.029
where: short stacking energy: -248.446
Base-Backbone interact. energy: 0.076
local terms energy: -271.022059
where:
bonds (distance) C4'-P energy: -47.783
bonds (distance) P-C4' energy: -58.226
flat angles C4'-P-C4' energy: -55.668
flat angles P-C4'-P energy: -38.556
tors. eta vs tors. theta energy: -70.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -847.172346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.172346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.172346 (E_RNA)
where:
Base-Base interactions energy: -595.747
where: short stacking energy: -239.743
Base-Backbone interact. energy: -1.734
local terms energy: -249.691555
where:
bonds (distance) C4'-P energy: -47.253
bonds (distance) P-C4' energy: -54.226
flat angles C4'-P-C4' energy: -55.663
flat angles P-C4'-P energy: -26.501
tors. eta vs tors. theta energy: -66.048
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: 5, replica: 7
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -814.721127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.721127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.721127 (E_RNA)
where:
Base-Base interactions energy: -559.918
where: short stacking energy: -239.866
Base-Backbone interact. energy: 0.651
local terms energy: -255.454230
where:
bonds (distance) C4'-P energy: -50.994
bonds (distance) P-C4' energy: -46.247
flat angles C4'-P-C4' energy: -50.598
flat angles P-C4'-P energy: -34.181
tors. eta vs tors. theta energy: -73.434
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: 6, replica: 10
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -763.299640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.299640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.299640 (E_RNA)
where:
Base-Base interactions energy: -528.122
where: short stacking energy: -221.710
Base-Backbone interact. energy: -1.544
local terms energy: -233.633966
where:
bonds (distance) C4'-P energy: -52.101
bonds (distance) P-C4' energy: -42.566
flat angles C4'-P-C4' energy: -46.163
flat angles P-C4'-P energy: -34.600
tors. eta vs tors. theta energy: -58.202
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: 5
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -738.358311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.358311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.358311 (E_RNA)
where:
Base-Base interactions energy: -505.150
where: short stacking energy: -206.980
Base-Backbone interact. energy: -0.898
local terms energy: -232.310223
where:
bonds (distance) C4'-P energy: -52.871
bonds (distance) P-C4' energy: -36.777
flat angles C4'-P-C4' energy: -54.193
flat angles P-C4'-P energy: -32.653
tors. eta vs tors. theta energy: -55.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -690.948701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.948701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.948701 (E_RNA)
where:
Base-Base interactions energy: -495.972
where: short stacking energy: -197.650
Base-Backbone interact. energy: 0.104
local terms energy: -195.080557
where:
bonds (distance) C4'-P energy: -38.316
bonds (distance) P-C4' energy: -43.807
flat angles C4'-P-C4' energy: -43.631
flat angles P-C4'-P energy: -22.079
tors. eta vs tors. theta energy: -47.248
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: 9, replica: 9
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -547.680461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.680461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.680461 (E_RNA)
where:
Base-Base interactions energy: -359.927
where: short stacking energy: -159.068
Base-Backbone interact. energy: 8.427
local terms energy: -196.181373
where:
bonds (distance) C4'-P energy: -43.017
bonds (distance) P-C4' energy: -48.958
flat angles C4'-P-C4' energy: -47.129
flat angles P-C4'-P energy: -25.887
tors. eta vs tors. theta energy: -31.190
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: 6
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -231.627589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.627589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.627589 (E_RNA)
where:
Base-Base interactions energy: -84.989
where: short stacking energy: -68.860
Base-Backbone interact. energy: -2.283
local terms energy: -144.355367
where:
bonds (distance) C4'-P energy: -37.107
bonds (distance) P-C4' energy: -42.597
flat angles C4'-P-C4' energy: -38.070
flat angles P-C4'-P energy: -28.149
tors. eta vs tors. theta energy: 1.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -948.345974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.345974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.345974 (E_RNA)
where:
Base-Base interactions energy: -655.512
where: short stacking energy: -272.725
Base-Backbone interact. energy: -1.661
local terms energy: -291.172455
where:
bonds (distance) C4'-P energy: -57.766
bonds (distance) P-C4' energy: -48.901
flat angles C4'-P-C4' energy: -57.117
flat angles P-C4'-P energy: -46.957
tors. eta vs tors. theta energy: -80.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -925.223919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.223919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.223919 (E_RNA)
where:
Base-Base interactions energy: -629.043
where: short stacking energy: -279.625
Base-Backbone interact. energy: -0.558
local terms energy: -295.622664
where:
bonds (distance) C4'-P energy: -50.256
bonds (distance) P-C4' energy: -56.098
flat angles C4'-P-C4' energy: -58.089
flat angles P-C4'-P energy: -45.099
tors. eta vs tors. theta energy: -86.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -855.481011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.481011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.481011 (E_RNA)
where:
Base-Base interactions energy: -597.155
where: short stacking energy: -243.199
Base-Backbone interact. energy: -0.220
local terms energy: -258.105568
where:
bonds (distance) C4'-P energy: -44.685
bonds (distance) P-C4' energy: -50.852
flat angles C4'-P-C4' energy: -52.874
flat angles P-C4'-P energy: -39.818
tors. eta vs tors. theta energy: -69.876
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: 4, replica: 8
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -833.548177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.548177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.548177 (E_RNA)
where:
Base-Base interactions energy: -562.585
where: short stacking energy: -238.989
Base-Backbone interact. energy: -2.456
local terms energy: -268.507150
where:
bonds (distance) C4'-P energy: -43.345
bonds (distance) P-C4' energy: -52.659
flat angles C4'-P-C4' energy: -62.534
flat angles P-C4'-P energy: -36.929
tors. eta vs tors. theta energy: -73.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -829.560083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.560083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.560083 (E_RNA)
where:
Base-Base interactions energy: -561.034
where: short stacking energy: -235.042
Base-Backbone interact. energy: -1.441
local terms energy: -267.085153
where:
bonds (distance) C4'-P energy: -44.956
bonds (distance) P-C4' energy: -51.770
flat angles C4'-P-C4' energy: -57.982
flat angles P-C4'-P energy: -41.637
tors. eta vs tors. theta energy: -70.740
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: 6, replica: 10
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -780.791406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.791406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.791406 (E_RNA)
where:
Base-Base interactions energy: -544.866
where: short stacking energy: -219.724
Base-Backbone interact. energy: -1.907
local terms energy: -234.018318
where:
bonds (distance) C4'-P energy: -50.601
bonds (distance) P-C4' energy: -39.634
flat angles C4'-P-C4' energy: -54.687
flat angles P-C4'-P energy: -32.506
tors. eta vs tors. theta energy: -56.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -729.621020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.621020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.621020 (E_RNA)
where:
Base-Base interactions energy: -492.149
where: short stacking energy: -203.894
Base-Backbone interact. energy: -1.901
local terms energy: -235.571633
where:
bonds (distance) C4'-P energy: -48.517
bonds (distance) P-C4' energy: -54.744
flat angles C4'-P-C4' energy: -39.567
flat angles P-C4'-P energy: -36.004
tors. eta vs tors. theta energy: -56.740
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: 3
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -705.461047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.461047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.461047 (E_RNA)
where:
Base-Base interactions energy: -485.771
where: short stacking energy: -200.458
Base-Backbone interact. energy: 1.526
local terms energy: -221.216576
where:
bonds (distance) C4'-P energy: -49.467
bonds (distance) P-C4' energy: -42.316
flat angles C4'-P-C4' energy: -51.117
flat angles P-C4'-P energy: -27.932
tors. eta vs tors. theta energy: -50.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -549.314440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.314440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.314440 (E_RNA)
where:
Base-Base interactions energy: -356.591
where: short stacking energy: -152.732
Base-Backbone interact. energy: -0.164
local terms energy: -192.559812
where:
bonds (distance) C4'-P energy: -37.420
bonds (distance) P-C4' energy: -49.002
flat angles C4'-P-C4' energy: -37.254
flat angles P-C4'-P energy: -28.788
tors. eta vs tors. theta energy: -40.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -203.034418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.034418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.034418 (E_RNA)
where:
Base-Base interactions energy: -61.553
where: short stacking energy: -59.588
Base-Backbone interact. energy: 0.530
local terms energy: -142.010937
where:
bonds (distance) C4'-P energy: -48.452
bonds (distance) P-C4' energy: -57.627
flat angles C4'-P-C4' energy: -28.229
flat angles P-C4'-P energy: -15.197
tors. eta vs tors. theta energy: 7.494
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: 2
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -936.386409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.386409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.386409 (E_RNA)
where:
Base-Base interactions energy: -654.611
where: short stacking energy: -281.853
Base-Backbone interact. energy: -1.272
local terms energy: -280.502840
where:
bonds (distance) C4'-P energy: -57.220
bonds (distance) P-C4' energy: -57.469
flat angles C4'-P-C4' energy: -51.102
flat angles P-C4'-P energy: -37.544
tors. eta vs tors. theta energy: -77.169
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: 1
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -923.306309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.306309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.306309 (E_RNA)
where:
Base-Base interactions energy: -633.811
where: short stacking energy: -289.556
Base-Backbone interact. energy: 0.440
local terms energy: -289.935112
where:
bonds (distance) C4'-P energy: -52.480
bonds (distance) P-C4' energy: -55.189
flat angles C4'-P-C4' energy: -57.467
flat angles P-C4'-P energy: -36.855
tors. eta vs tors. theta energy: -87.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -882.160864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.160864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.160864 (E_RNA)
where:
Base-Base interactions energy: -598.028
where: short stacking energy: -253.185
Base-Backbone interact. energy: 0.472
local terms energy: -284.604978
where:
bonds (distance) C4'-P energy: -53.320
bonds (distance) P-C4' energy: -57.509
flat angles C4'-P-C4' energy: -57.913
flat angles P-C4'-P energy: -39.957
tors. eta vs tors. theta energy: -75.906
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: 7
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -845.253539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.253539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.253539 (E_RNA)
where:
Base-Base interactions energy: -577.989
where: short stacking energy: -249.612
Base-Backbone interact. energy: -0.590
local terms energy: -266.674270
where:
bonds (distance) C4'-P energy: -55.820
bonds (distance) P-C4' energy: -38.466
flat angles C4'-P-C4' energy: -62.729
flat angles P-C4'-P energy: -38.226
tors. eta vs tors. theta energy: -71.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -810.258207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.258207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.258207 (E_RNA)
where:
Base-Base interactions energy: -551.647
where: short stacking energy: -225.531
Base-Backbone interact. energy: -0.428
local terms energy: -258.183824
where:
bonds (distance) C4'-P energy: -45.886
bonds (distance) P-C4' energy: -47.115
flat angles C4'-P-C4' energy: -62.484
flat angles P-C4'-P energy: -37.299
tors. eta vs tors. theta energy: -65.400
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: 6, replica: 10
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -802.541781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.541781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.541781 (E_RNA)
where:
Base-Base interactions energy: -550.472
where: short stacking energy: -240.287
Base-Backbone interact. energy: -0.471
local terms energy: -251.598693
where:
bonds (distance) C4'-P energy: -45.168
bonds (distance) P-C4' energy: -50.361
flat angles C4'-P-C4' energy: -55.333
flat angles P-C4'-P energy: -34.103
tors. eta vs tors. theta energy: -66.634
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: 5
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -708.169261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.169261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.169261 (E_RNA)
where:
Base-Base interactions energy: -485.590
where: short stacking energy: -183.392
Base-Backbone interact. energy: 3.093
local terms energy: -225.671759
where:
bonds (distance) C4'-P energy: -47.725
bonds (distance) P-C4' energy: -47.978
flat angles C4'-P-C4' energy: -55.636
flat angles P-C4'-P energy: -21.453
tors. eta vs tors. theta energy: -52.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -689.262586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.262586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.262586 (E_RNA)
where:
Base-Base interactions energy: -450.262
where: short stacking energy: -184.115
Base-Backbone interact. energy: -0.118
local terms energy: -238.883009
where:
bonds (distance) C4'-P energy: -49.362
bonds (distance) P-C4' energy: -54.811
flat angles C4'-P-C4' energy: -47.283
flat angles P-C4'-P energy: -32.303
tors. eta vs tors. theta energy: -55.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -532.976626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.976626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.976626 (E_RNA)
where:
Base-Base interactions energy: -337.619
where: short stacking energy: -138.937
Base-Backbone interact. energy: 3.230
local terms energy: -198.587994
where:
bonds (distance) C4'-P energy: -50.561
bonds (distance) P-C4' energy: -54.830
flat angles C4'-P-C4' energy: -40.063
flat angles P-C4'-P energy: -27.015
tors. eta vs tors. theta energy: -26.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -233.529330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.529330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.529330 (E_RNA)
where:
Base-Base interactions energy: -85.095
where: short stacking energy: -83.921
Base-Backbone interact. energy: -0.355
local terms energy: -148.079439
where:
bonds (distance) C4'-P energy: -42.913
bonds (distance) P-C4' energy: -49.205
flat angles C4'-P-C4' energy: -36.362
flat angles P-C4'-P energy: -12.820
tors. eta vs tors. theta energy: -6.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -957.046491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.046491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.046491 (E_RNA)
where:
Base-Base interactions energy: -663.690
where: short stacking energy: -288.144
Base-Backbone interact. energy: 1.040
local terms energy: -294.396470
where:
bonds (distance) C4'-P energy: -48.184
bonds (distance) P-C4' energy: -51.334
flat angles C4'-P-C4' energy: -57.838
flat angles P-C4'-P energy: -49.117
tors. eta vs tors. theta energy: -87.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -909.066252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.066252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.066252 (E_RNA)
where:
Base-Base interactions energy: -630.923
where: short stacking energy: -252.618
Base-Backbone interact. energy: -3.084
local terms energy: -275.059362
where:
bonds (distance) C4'-P energy: -57.676
bonds (distance) P-C4' energy: -52.315
flat angles C4'-P-C4' energy: -57.792
flat angles P-C4'-P energy: -35.246
tors. eta vs tors. theta energy: -72.030
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: 3, replica: 4
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -886.021275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.021275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.021275 (E_RNA)
where:
Base-Base interactions energy: -609.425
where: short stacking energy: -262.218
Base-Backbone interact. energy: -0.581
local terms energy: -276.015168
where:
bonds (distance) C4'-P energy: -43.674
bonds (distance) P-C4' energy: -58.097
flat angles C4'-P-C4' energy: -55.678
flat angles P-C4'-P energy: -40.717
tors. eta vs tors. theta energy: -77.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -872.999646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.999646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.999646 (E_RNA)
where:
Base-Base interactions energy: -612.980
where: short stacking energy: -260.874
Base-Backbone interact. energy: -0.243
local terms energy: -259.777030
where:
bonds (distance) C4'-P energy: -49.981
bonds (distance) P-C4' energy: -49.360
flat angles C4'-P-C4' energy: -51.620
flat angles P-C4'-P energy: -31.866
tors. eta vs tors. theta energy: -76.950
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: 5, replica: 10
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -806.189638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.189638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.189638 (E_RNA)
where:
Base-Base interactions energy: -554.579
where: short stacking energy: -248.031
Base-Backbone interact. energy: 0.576
local terms energy: -252.186566
where:
bonds (distance) C4'-P energy: -51.418
bonds (distance) P-C4' energy: -45.580
flat angles C4'-P-C4' energy: -56.141
flat angles P-C4'-P energy: -28.841
tors. eta vs tors. theta energy: -70.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -796.160415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.160415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.160415 (E_RNA)
where:
Base-Base interactions energy: -546.747
where: short stacking energy: -228.137
Base-Backbone interact. energy: -0.587
local terms energy: -248.825973
where:
bonds (distance) C4'-P energy: -46.719
bonds (distance) P-C4' energy: -44.943
flat angles C4'-P-C4' energy: -55.698
flat angles P-C4'-P energy: -33.018
tors. eta vs tors. theta energy: -68.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -720.047048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.047048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.047048 (E_RNA)
where:
Base-Base interactions energy: -488.020
where: short stacking energy: -220.471
Base-Backbone interact. energy: 0.897
local terms energy: -232.923951
where:
bonds (distance) C4'-P energy: -48.022
bonds (distance) P-C4' energy: -43.143
flat angles C4'-P-C4' energy: -49.652
flat angles P-C4'-P energy: -28.197
tors. eta vs tors. theta energy: -63.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -684.231604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.231604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.231604 (E_RNA)
where:
Base-Base interactions energy: -472.805
where: short stacking energy: -176.009
Base-Backbone interact. energy: -0.338
local terms energy: -211.087695
where:
bonds (distance) C4'-P energy: -44.627
bonds (distance) P-C4' energy: -50.479
flat angles C4'-P-C4' energy: -40.421
flat angles P-C4'-P energy: -32.427
tors. eta vs tors. theta energy: -43.133
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: 9, replica: 9
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -570.879246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.879246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.879246 (E_RNA)
where:
Base-Base interactions energy: -353.628
where: short stacking energy: -167.205
Base-Backbone interact. energy: -0.565
local terms energy: -216.686271
where:
bonds (distance) C4'-P energy: -35.776
bonds (distance) P-C4' energy: -51.257
flat angles C4'-P-C4' energy: -44.235
flat angles P-C4'-P energy: -38.133
tors. eta vs tors. theta energy: -47.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -236.836586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.836586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.836586 (E_RNA)
where:
Base-Base interactions energy: -84.045
where: short stacking energy: -65.905
Base-Backbone interact. energy: -0.331
local terms energy: -152.461102
where:
bonds (distance) C4'-P energy: -40.893
bonds (distance) P-C4' energy: -54.806
flat angles C4'-P-C4' energy: -43.484
flat angles P-C4'-P energy: -19.925
tors. eta vs tors. theta energy: 6.647
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: 1
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -958.395748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.395748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.395748 (E_RNA)
where:
Base-Base interactions energy: -661.500
where: short stacking energy: -297.907
Base-Backbone interact. energy: -2.575
local terms energy: -294.320950
where:
bonds (distance) C4'-P energy: -52.791
bonds (distance) P-C4' energy: -51.866
flat angles C4'-P-C4' energy: -60.659
flat angles P-C4'-P energy: -39.162
tors. eta vs tors. theta energy: -89.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -913.574770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.574770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.574770 (E_RNA)
where:
Base-Base interactions energy: -640.540
where: short stacking energy: -270.989
Base-Backbone interact. energy: -0.718
local terms energy: -272.317211
where:
bonds (distance) C4'-P energy: -52.847
bonds (distance) P-C4' energy: -53.146
flat angles C4'-P-C4' energy: -58.717
flat angles P-C4'-P energy: -31.588
tors. eta vs tors. theta energy: -76.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -888.117780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.117780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.117780 (E_RNA)
where:
Base-Base interactions energy: -607.629
where: short stacking energy: -259.883
Base-Backbone interact. energy: -0.055
local terms energy: -280.433786
where:
bonds (distance) C4'-P energy: -54.458
bonds (distance) P-C4' energy: -52.128
flat angles C4'-P-C4' energy: -60.145
flat angles P-C4'-P energy: -36.579
tors. eta vs tors. theta energy: -77.123
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: 7
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -846.198096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.198096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.198096 (E_RNA)
where:
Base-Base interactions energy: -589.347
where: short stacking energy: -251.746
Base-Backbone interact. energy: 1.567
local terms energy: -258.417729
where:
bonds (distance) C4'-P energy: -44.229
bonds (distance) P-C4' energy: -51.579
flat angles C4'-P-C4' energy: -54.400
flat angles P-C4'-P energy: -40.123
tors. eta vs tors. theta energy: -68.086
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: 10
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -835.275866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.275866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.275866 (E_RNA)
where:
Base-Base interactions energy: -576.857
where: short stacking energy: -236.341
Base-Backbone interact. energy: -0.625
local terms energy: -257.794007
where:
bonds (distance) C4'-P energy: -50.987
bonds (distance) P-C4' energy: -53.762
flat angles C4'-P-C4' energy: -45.608
flat angles P-C4'-P energy: -31.747
tors. eta vs tors. theta energy: -75.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -793.234569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.234569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.234569 (E_RNA)
where:
Base-Base interactions energy: -537.420
where: short stacking energy: -235.834
Base-Backbone interact. energy: -0.931
local terms energy: -254.883523
where:
bonds (distance) C4'-P energy: -43.634
bonds (distance) P-C4' energy: -44.428
flat angles C4'-P-C4' energy: -56.595
flat angles P-C4'-P energy: -43.641
tors. eta vs tors. theta energy: -66.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -726.616182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.616182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.616182 (E_RNA)
where:
Base-Base interactions energy: -501.014
where: short stacking energy: -215.493
Base-Backbone interact. energy: -0.099
local terms energy: -225.502679
where:
bonds (distance) C4'-P energy: -42.554
bonds (distance) P-C4' energy: -47.992
flat angles C4'-P-C4' energy: -47.454
flat angles P-C4'-P energy: -30.767
tors. eta vs tors. theta energy: -56.735
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: 5
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -678.975699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.975699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.975699 (E_RNA)
where:
Base-Base interactions energy: -456.234
where: short stacking energy: -185.890
Base-Backbone interact. energy: -1.155
local terms energy: -221.586943
where:
bonds (distance) C4'-P energy: -42.453
bonds (distance) P-C4' energy: -47.192
flat angles C4'-P-C4' energy: -44.988
flat angles P-C4'-P energy: -41.050
tors. eta vs tors. theta energy: -45.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -535.919672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.919672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.919672 (E_RNA)
where:
Base-Base interactions energy: -344.777
where: short stacking energy: -151.688
Base-Backbone interact. energy: -0.683
local terms energy: -190.459201
where:
bonds (distance) C4'-P energy: -34.795
bonds (distance) P-C4' energy: -42.026
flat angles C4'-P-C4' energy: -48.219
flat angles P-C4'-P energy: -23.565
tors. eta vs tors. theta energy: -41.854
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: 6
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -223.705080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.705080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.705080 (E_RNA)
where:
Base-Base interactions energy: -99.737
where: short stacking energy: -86.993
Base-Backbone interact. energy: -0.820
local terms energy: -123.148044
where:
bonds (distance) C4'-P energy: -35.436
bonds (distance) P-C4' energy: -39.918
flat angles C4'-P-C4' energy: -28.167
flat angles P-C4'-P energy: -22.240
tors. eta vs tors. theta energy: 2.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -961.249498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.249498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.249498 (E_RNA)
where:
Base-Base interactions energy: -663.192
where: short stacking energy: -290.328
Base-Backbone interact. energy: -1.248
local terms energy: -296.810128
where:
bonds (distance) C4'-P energy: -52.601
bonds (distance) P-C4' energy: -51.558
flat angles C4'-P-C4' energy: -62.929
flat angles P-C4'-P energy: -41.245
tors. eta vs tors. theta energy: -88.477
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: 434
Temperature: 0.950000
Total energy: -926.340992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.340992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.340992 (E_RNA)
where:
Base-Base interactions energy: -632.971
where: short stacking energy: -275.701
Base-Backbone interact. energy: 0.877
local terms energy: -294.246177
where:
bonds (distance) C4'-P energy: -52.893
bonds (distance) P-C4' energy: -58.489
flat angles C4'-P-C4' energy: -62.606
flat angles P-C4'-P energy: -35.152
tors. eta vs tors. theta energy: -85.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -883.333565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.333565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.333565 (E_RNA)
where:
Base-Base interactions energy: -616.598
where: short stacking energy: -251.083
Base-Backbone interact. energy: -1.032
local terms energy: -265.703228
where:
bonds (distance) C4'-P energy: -51.056
bonds (distance) P-C4' energy: -55.908
flat angles C4'-P-C4' energy: -61.606
flat angles P-C4'-P energy: -36.535
tors. eta vs tors. theta energy: -60.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -828.688505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.688505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.688505 (E_RNA)
where:
Base-Base interactions energy: -604.701
where: short stacking energy: -256.475
Base-Backbone interact. energy: -0.242
local terms energy: -223.745518
where:
bonds (distance) C4'-P energy: -38.448
bonds (distance) P-C4' energy: -38.555
flat angles C4'-P-C4' energy: -53.282
flat angles P-C4'-P energy: -26.133
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: 5, replica: 8
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -823.320167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.320167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.320167 (E_RNA)
where:
Base-Base interactions energy: -565.854
where: short stacking energy: -233.480
Base-Backbone interact. energy: -1.693
local terms energy: -255.773000
where:
bonds (distance) C4'-P energy: -52.040
bonds (distance) P-C4' energy: -43.457
flat angles C4'-P-C4' energy: -52.945
flat angles P-C4'-P energy: -36.060
tors. eta vs tors. theta energy: -71.271
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: 6, replica: 10
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -805.642846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.642846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.642846 (E_RNA)
where:
Base-Base interactions energy: -551.245
where: short stacking energy: -237.785
Base-Backbone interact. energy: -0.785
local terms energy: -253.612472
where:
bonds (distance) C4'-P energy: -47.828
bonds (distance) P-C4' energy: -43.797
flat angles C4'-P-C4' energy: -61.419
flat angles P-C4'-P energy: -27.380
tors. eta vs tors. theta energy: -73.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -701.557738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.557738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.557738 (E_RNA)
where:
Base-Base interactions energy: -478.280
where: short stacking energy: -203.029
Base-Backbone interact. energy: -1.195
local terms energy: -222.082485
where:
bonds (distance) C4'-P energy: -42.848
bonds (distance) P-C4' energy: -52.297
flat angles C4'-P-C4' energy: -45.175
flat angles P-C4'-P energy: -27.317
tors. eta vs tors. theta energy: -54.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -711.119239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.119239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.119239 (E_RNA)
where:
Base-Base interactions energy: -489.532
where: short stacking energy: -197.722
Base-Backbone interact. energy: -0.616
local terms energy: -220.971460
where:
bonds (distance) C4'-P energy: -38.813
bonds (distance) P-C4' energy: -52.782
flat angles C4'-P-C4' energy: -48.658
flat angles P-C4'-P energy: -25.204
tors. eta vs tors. theta energy: -55.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -531.867230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.867230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.867230 (E_RNA)
where:
Base-Base interactions energy: -347.920
where: short stacking energy: -153.371
Base-Backbone interact. energy: -0.013
local terms energy: -183.934398
where:
bonds (distance) C4'-P energy: -43.290
bonds (distance) P-C4' energy: -36.385
flat angles C4'-P-C4' energy: -44.243
flat angles P-C4'-P energy: -34.503
tors. eta vs tors. theta energy: -25.513
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: 6
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -231.707050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.707050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.707050 (E_RNA)
where:
Base-Base interactions energy: -78.143
where: short stacking energy: -64.247
Base-Backbone interact. energy: 2.300
local terms energy: -155.864318
where:
bonds (distance) C4'-P energy: -49.213
bonds (distance) P-C4' energy: -55.455
flat angles C4'-P-C4' energy: -37.868
flat angles P-C4'-P energy: -24.019
tors. eta vs tors. theta energy: 10.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -960.561716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.561716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.561716 (E_RNA)
where:
Base-Base interactions energy: -674.565
where: short stacking energy: -303.965
Base-Backbone interact. energy: -1.644
local terms energy: -284.352509
where:
bonds (distance) C4'-P energy: -46.618
bonds (distance) P-C4' energy: -44.345
flat angles C4'-P-C4' energy: -64.842
flat angles P-C4'-P energy: -38.644
tors. eta vs tors. theta energy: -89.904
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: 2, replica: 2
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -941.964955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.964955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.964955 (E_RNA)
where:
Base-Base interactions energy: -650.915
where: short stacking energy: -281.634
Base-Backbone interact. energy: -2.124
local terms energy: -288.926810
where:
bonds (distance) C4'-P energy: -50.107
bonds (distance) P-C4' energy: -51.086
flat angles C4'-P-C4' energy: -63.386
flat angles P-C4'-P energy: -39.048
tors. eta vs tors. theta energy: -85.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -860.282629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.282629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.282629 (E_RNA)
where:
Base-Base interactions energy: -588.640
where: short stacking energy: -245.650
Base-Backbone interact. energy: -0.354
local terms energy: -271.288574
where:
bonds (distance) C4'-P energy: -48.425
bonds (distance) P-C4' energy: -48.122
flat angles C4'-P-C4' energy: -55.656
flat angles P-C4'-P energy: -40.834
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: 4, replica: 8
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -817.730822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.730822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.730822 (E_RNA)
where:
Base-Base interactions energy: -555.403
where: short stacking energy: -231.315
Base-Backbone interact. energy: -0.011
local terms energy: -262.317224
where:
bonds (distance) C4'-P energy: -55.949
bonds (distance) P-C4' energy: -47.983
flat angles C4'-P-C4' energy: -52.084
flat angles P-C4'-P energy: -39.297
tors. eta vs tors. theta energy: -67.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -798.147781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.147781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.147781 (E_RNA)
where:
Base-Base interactions energy: -549.523
where: short stacking energy: -232.594
Base-Backbone interact. energy: -1.262
local terms energy: -247.362821
where:
bonds (distance) C4'-P energy: -52.450
bonds (distance) P-C4' energy: -50.585
flat angles C4'-P-C4' energy: -42.941
flat angles P-C4'-P energy: -35.501
tors. eta vs tors. theta energy: -65.885
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: 10
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -802.217858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.217858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.217858 (E_RNA)
where:
Base-Base interactions energy: -553.100
where: short stacking energy: -227.450
Base-Backbone interact. energy: -1.432
local terms energy: -247.685549
where:
bonds (distance) C4'-P energy: -45.632
bonds (distance) P-C4' energy: -45.890
flat angles C4'-P-C4' energy: -57.284
flat angles P-C4'-P energy: -34.102
tors. eta vs tors. theta energy: -64.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -710.640031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.640031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.640031 (E_RNA)
where:
Base-Base interactions energy: -486.256
where: short stacking energy: -206.454
Base-Backbone interact. energy: -0.497
local terms energy: -223.886607
where:
bonds (distance) C4'-P energy: -44.948
bonds (distance) P-C4' energy: -44.573
flat angles C4'-P-C4' energy: -48.828
flat angles P-C4'-P energy: -29.008
tors. eta vs tors. theta energy: -56.530
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: 3
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -700.236908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.236908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.236908 (E_RNA)
where:
Base-Base interactions energy: -489.015
where: short stacking energy: -194.786
Base-Backbone interact. energy: -1.375
local terms energy: -209.846822
where:
bonds (distance) C4'-P energy: -42.192
bonds (distance) P-C4' energy: -48.537
flat angles C4'-P-C4' energy: -48.117
flat angles P-C4'-P energy: -30.244
tors. eta vs tors. theta energy: -40.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -494.559147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.559147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.559147 (E_RNA)
where:
Base-Base interactions energy: -305.991
where: short stacking energy: -144.869
Base-Backbone interact. energy: -0.498
local terms energy: -188.070111
where:
bonds (distance) C4'-P energy: -42.032
bonds (distance) P-C4' energy: -50.196
flat angles C4'-P-C4' energy: -45.585
flat angles P-C4'-P energy: -13.555
tors. eta vs tors. theta energy: -36.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -220.878772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.878772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.878772 (E_RNA)
where:
Base-Base interactions energy: -77.303
where: short stacking energy: -59.285
Base-Backbone interact. energy: -0.636
local terms energy: -142.940351
where:
bonds (distance) C4'-P energy: -30.770
bonds (distance) P-C4' energy: -57.593
flat angles C4'-P-C4' energy: -47.257
flat angles P-C4'-P energy: -14.230
tors. eta vs tors. theta energy: 6.909
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: 2
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -942.420216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.420216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.420216 (E_RNA)
where:
Base-Base interactions energy: -659.417
where: short stacking energy: -283.378
Base-Backbone interact. energy: -1.435
local terms energy: -281.568931
where:
bonds (distance) C4'-P energy: -46.304
bonds (distance) P-C4' energy: -59.114
flat angles C4'-P-C4' energy: -58.629
flat angles P-C4'-P energy: -38.970
tors. eta vs tors. theta energy: -78.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -934.671365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.671365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.671365 (E_RNA)
where:
Base-Base interactions energy: -651.465
where: short stacking energy: -277.575
Base-Backbone interact. energy: -0.528
local terms energy: -282.678424
where:
bonds (distance) C4'-P energy: -51.474
bonds (distance) P-C4' energy: -46.104
flat angles C4'-P-C4' energy: -56.240
flat angles P-C4'-P energy: -43.400
tors. eta vs tors. theta energy: -85.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -850.899501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.899501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.899501 (E_RNA)
where:
Base-Base interactions energy: -594.576
where: short stacking energy: -243.984
Base-Backbone interact. energy: -0.229
local terms energy: -256.094869
where:
bonds (distance) C4'-P energy: -56.719
bonds (distance) P-C4' energy: -42.103
flat angles C4'-P-C4' energy: -52.628
flat angles P-C4'-P energy: -37.344
tors. eta vs tors. theta energy: -67.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -839.391930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.391930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.391930 (E_RNA)
where:
Base-Base interactions energy: -587.015
where: short stacking energy: -230.658
Base-Backbone interact. energy: -2.031
local terms energy: -250.345964
where:
bonds (distance) C4'-P energy: -50.177
bonds (distance) P-C4' energy: -51.507
flat angles C4'-P-C4' energy: -52.193
flat angles P-C4'-P energy: -31.234
tors. eta vs tors. theta energy: -65.236
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: 436
Temperature: 1.100000
Total energy: -823.146677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.146677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.146677 (E_RNA)
where:
Base-Base interactions energy: -563.765
where: short stacking energy: -231.874
Base-Backbone interact. energy: -0.017
local terms energy: -259.364989
where:
bonds (distance) C4'-P energy: -46.583
bonds (distance) P-C4' energy: -52.477
flat angles C4'-P-C4' energy: -55.565
flat angles P-C4'-P energy: -36.917
tors. eta vs tors. theta energy: -67.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -802.500522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.500522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.500522 (E_RNA)
where:
Base-Base interactions energy: -554.046
where: short stacking energy: -231.648
Base-Backbone interact. energy: -1.265
local terms energy: -247.189804
where:
bonds (distance) C4'-P energy: -48.126
bonds (distance) P-C4' energy: -51.925
flat angles C4'-P-C4' energy: -47.807
flat angles P-C4'-P energy: -34.296
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: 7, replica: 3
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -720.964465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.964465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.964465 (E_RNA)
where:
Base-Base interactions energy: -487.740
where: short stacking energy: -183.247
Base-Backbone interact. energy: 0.016
local terms energy: -233.240889
where:
bonds (distance) C4'-P energy: -55.046
bonds (distance) P-C4' energy: -45.582
flat angles C4'-P-C4' energy: -47.551
flat angles P-C4'-P energy: -38.850
tors. eta vs tors. theta energy: -46.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -673.243771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.243771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.243771 (E_RNA)
where:
Base-Base interactions energy: -459.965
where: short stacking energy: -176.739
Base-Backbone interact. energy: 0.921
local terms energy: -214.199926
where:
bonds (distance) C4'-P energy: -41.921
bonds (distance) P-C4' energy: -44.877
flat angles C4'-P-C4' energy: -47.188
flat angles P-C4'-P energy: -33.822
tors. eta vs tors. theta energy: -46.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -507.733381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.733381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.733381 (E_RNA)
where:
Base-Base interactions energy: -317.002
where: short stacking energy: -150.445
Base-Backbone interact. energy: 1.048
local terms energy: -191.779004
where:
bonds (distance) C4'-P energy: -46.469
bonds (distance) P-C4' energy: -39.946
flat angles C4'-P-C4' energy: -42.410
flat angles P-C4'-P energy: -34.596
tors. eta vs tors. theta energy: -28.359
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: 10, replica: 6
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -212.012392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.012392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.012392 (E_RNA)
where:
Base-Base interactions energy: -69.917
where: short stacking energy: -63.741
Base-Backbone interact. energy: -0.540
local terms energy: -141.554884
where:
bonds (distance) C4'-P energy: -39.303
bonds (distance) P-C4' energy: -44.487
flat angles C4'-P-C4' energy: -35.731
flat angles P-C4'-P energy: -25.247
tors. eta vs tors. theta energy: 3.213
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: 2
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -949.451954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.451954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.451954 (E_RNA)
where:
Base-Base interactions energy: -676.430
where: short stacking energy: -302.530
Base-Backbone interact. energy: -1.627
local terms energy: -271.394526
where:
bonds (distance) C4'-P energy: -46.730
bonds (distance) P-C4' energy: -50.555
flat angles C4'-P-C4' energy: -45.935
flat angles P-C4'-P energy: -39.248
tors. eta vs tors. theta energy: -88.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -932.954184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.954184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.954184 (E_RNA)
where:
Base-Base interactions energy: -638.188
where: short stacking energy: -274.198
Base-Backbone interact. energy: -1.309
local terms energy: -293.456726
where:
bonds (distance) C4'-P energy: -52.894
bonds (distance) P-C4' energy: -52.511
flat angles C4'-P-C4' energy: -64.145
flat angles P-C4'-P energy: -38.209
tors. eta vs tors. theta energy: -85.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -864.453840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.453840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.453840 (E_RNA)
where:
Base-Base interactions energy: -605.136
where: short stacking energy: -255.538
Base-Backbone interact. energy: 0.876
local terms energy: -260.194252
where:
bonds (distance) C4'-P energy: -34.464
bonds (distance) P-C4' energy: -48.106
flat angles C4'-P-C4' energy: -58.183
flat angles P-C4'-P energy: -45.160
tors. eta vs tors. theta energy: -74.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -852.514915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.514915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.514915 (E_RNA)
where:
Base-Base interactions energy: -605.675
where: short stacking energy: -254.552
Base-Backbone interact. energy: -1.233
local terms energy: -245.606967
where:
bonds (distance) C4'-P energy: -51.213
bonds (distance) P-C4' energy: -28.709
flat angles C4'-P-C4' energy: -53.670
flat angles P-C4'-P energy: -35.479
tors. eta vs tors. theta energy: -76.536
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: 4
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -835.933972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.933972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.933972 (E_RNA)
where:
Base-Base interactions energy: -580.748
where: short stacking energy: -251.031
Base-Backbone interact. energy: 0.085
local terms energy: -255.270317
where:
bonds (distance) C4'-P energy: -46.605
bonds (distance) P-C4' energy: -51.242
flat angles C4'-P-C4' energy: -49.717
flat angles P-C4'-P energy: -35.187
tors. eta vs tors. theta energy: -72.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -798.727674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.727674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.727674 (E_RNA)
where:
Base-Base interactions energy: -556.902
where: short stacking energy: -225.990
Base-Backbone interact. energy: -0.384
local terms energy: -241.441208
where:
bonds (distance) C4'-P energy: -44.363
bonds (distance) P-C4' energy: -38.094
flat angles C4'-P-C4' energy: -55.514
flat angles P-C4'-P energy: -33.954
tors. eta vs tors. theta energy: -69.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -713.125905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.125905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.125905 (E_RNA)
where:
Base-Base interactions energy: -499.828
where: short stacking energy: -186.100
Base-Backbone interact. energy: -0.514
local terms energy: -212.784126
where:
bonds (distance) C4'-P energy: -48.755
bonds (distance) P-C4' energy: -36.601
flat angles C4'-P-C4' energy: -49.516
flat angles P-C4'-P energy: -30.540
tors. eta vs tors. theta energy: -47.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -659.940840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.940840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.940840 (E_RNA)
where:
Base-Base interactions energy: -432.142
where: short stacking energy: -176.276
Base-Backbone interact. energy: -0.959
local terms energy: -226.840542
where:
bonds (distance) C4'-P energy: -42.295
bonds (distance) P-C4' energy: -48.510
flat angles C4'-P-C4' energy: -53.859
flat angles P-C4'-P energy: -34.309
tors. eta vs tors. theta energy: -47.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -536.035737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.035737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.035737 (E_RNA)
where:
Base-Base interactions energy: -344.056
where: short stacking energy: -147.597
Base-Backbone interact. energy: -2.150
local terms energy: -189.830213
where:
bonds (distance) C4'-P energy: -44.485
bonds (distance) P-C4' energy: -48.176
flat angles C4'-P-C4' energy: -39.725
flat angles P-C4'-P energy: -28.512
tors. eta vs tors. theta energy: -28.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -248.662901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.662901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.662901 (E_RNA)
where:
Base-Base interactions energy: -99.335
where: short stacking energy: -82.966
Base-Backbone interact. energy: -0.668
local terms energy: -148.660303
where:
bonds (distance) C4'-P energy: -44.064
bonds (distance) P-C4' energy: -52.364
flat angles C4'-P-C4' energy: -30.034
flat angles P-C4'-P energy: -25.725
tors. eta vs tors. theta energy: 3.527
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: 2
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -933.458291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.458291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.458291 (E_RNA)
where:
Base-Base interactions energy: -631.951
where: short stacking energy: -266.440
Base-Backbone interact. energy: 1.836
local terms energy: -303.343256
where:
bonds (distance) C4'-P energy: -63.054
bonds (distance) P-C4' energy: -54.766
flat angles C4'-P-C4' energy: -60.633
flat angles P-C4'-P energy: -41.174
tors. eta vs tors. theta energy: -83.717
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: 438
Temperature: 0.950000
Total energy: -935.982404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.982404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.982404 (E_RNA)
where:
Base-Base interactions energy: -659.145
where: short stacking energy: -270.668
Base-Backbone interact. energy: -1.481
local terms energy: -275.356678
where:
bonds (distance) C4'-P energy: -43.874
bonds (distance) P-C4' energy: -46.613
flat angles C4'-P-C4' energy: -63.698
flat angles P-C4'-P energy: -45.204
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: 3, replica: 10
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -878.861853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.861853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.861853 (E_RNA)
where:
Base-Base interactions energy: -604.678
where: short stacking energy: -258.820
Base-Backbone interact. energy: -0.729
local terms energy: -273.455083
where:
bonds (distance) C4'-P energy: -55.501
bonds (distance) P-C4' energy: -51.018
flat angles C4'-P-C4' energy: -49.506
flat angles P-C4'-P energy: -39.939
tors. eta vs tors. theta energy: -77.491
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: 8
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -840.726819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.726819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.726819 (E_RNA)
where:
Base-Base interactions energy: -576.488
where: short stacking energy: -231.351
Base-Backbone interact. energy: -0.233
local terms energy: -264.005397
where:
bonds (distance) C4'-P energy: -57.043
bonds (distance) P-C4' energy: -44.603
flat angles C4'-P-C4' energy: -57.502
flat angles P-C4'-P energy: -42.031
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: 5, replica: 7
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -822.055485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.055485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.055485 (E_RNA)
where:
Base-Base interactions energy: -555.744
where: short stacking energy: -235.411
Base-Backbone interact. energy: -0.384
local terms energy: -265.927806
where:
bonds (distance) C4'-P energy: -46.127
bonds (distance) P-C4' energy: -54.338
flat angles C4'-P-C4' energy: -54.119
flat angles P-C4'-P energy: -38.346
tors. eta vs tors. theta energy: -72.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -821.060525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.060525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.060525 (E_RNA)
where:
Base-Base interactions energy: -570.322
where: short stacking energy: -245.525
Base-Backbone interact. energy: -0.843
local terms energy: -249.895671
where:
bonds (distance) C4'-P energy: -45.233
bonds (distance) P-C4' energy: -46.005
flat angles C4'-P-C4' energy: -56.252
flat angles P-C4'-P energy: -33.403
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: 7, replica: 3
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -729.098809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.098809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.098809 (E_RNA)
where:
Base-Base interactions energy: -506.919
where: short stacking energy: -211.027
Base-Backbone interact. energy: -0.686
local terms energy: -221.493149
where:
bonds (distance) C4'-P energy: -33.691
bonds (distance) P-C4' energy: -45.476
flat angles C4'-P-C4' energy: -45.492
flat angles P-C4'-P energy: -38.135
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: 8, replica: 5
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -637.513123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.513123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.513123 (E_RNA)
where:
Base-Base interactions energy: -445.323
where: short stacking energy: -187.785
Base-Backbone interact. energy: 0.320
local terms energy: -192.510205
where:
bonds (distance) C4'-P energy: -32.578
bonds (distance) P-C4' energy: -32.863
flat angles C4'-P-C4' energy: -51.971
flat angles P-C4'-P energy: -33.726
tors. eta vs tors. theta energy: -41.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -493.356029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.356029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.356029 (E_RNA)
where:
Base-Base interactions energy: -310.515
where: short stacking energy: -133.763
Base-Backbone interact. energy: 3.599
local terms energy: -186.439876
where:
bonds (distance) C4'-P energy: -53.194
bonds (distance) P-C4' energy: -40.085
flat angles C4'-P-C4' energy: -49.368
flat angles P-C4'-P energy: -21.315
tors. eta vs tors. theta energy: -22.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -214.473366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.473366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.473366 (E_RNA)
where:
Base-Base interactions energy: -79.072
where: short stacking energy: -73.600
Base-Backbone interact. energy: -0.673
local terms energy: -134.728326
where:
bonds (distance) C4'-P energy: -39.567
bonds (distance) P-C4' energy: -39.864
flat angles C4'-P-C4' energy: -41.382
flat angles P-C4'-P energy: -9.851
tors. eta vs tors. theta energy: -4.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -954.844053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.844053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.844053 (E_RNA)
where:
Base-Base interactions energy: -674.883
where: short stacking energy: -270.756
Base-Backbone interact. energy: -0.710
local terms energy: -279.251180
where:
bonds (distance) C4'-P energy: -43.338
bonds (distance) P-C4' energy: -51.314
flat angles C4'-P-C4' energy: -63.593
flat angles P-C4'-P energy: -41.761
tors. eta vs tors. theta energy: -79.245
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: 1
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -928.348671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.348671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.348671 (E_RNA)
where:
Base-Base interactions energy: -637.434
where: short stacking energy: -282.063
Base-Backbone interact. energy: -0.686
local terms energy: -290.229133
where:
bonds (distance) C4'-P energy: -57.913
bonds (distance) P-C4' energy: -52.763
flat angles C4'-P-C4' energy: -59.971
flat angles P-C4'-P energy: -36.823
tors. eta vs tors. theta energy: -82.759
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: 10
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -870.306267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.306267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.306267 (E_RNA)
where:
Base-Base interactions energy: -609.070
where: short stacking energy: -244.266
Base-Backbone interact. energy: -0.444
local terms energy: -260.793041
where:
bonds (distance) C4'-P energy: -50.110
bonds (distance) P-C4' energy: -50.881
flat angles C4'-P-C4' energy: -53.467
flat angles P-C4'-P energy: -34.890
tors. eta vs tors. theta energy: -71.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -833.046739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.046739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.046739 (E_RNA)
where:
Base-Base interactions energy: -575.215
where: short stacking energy: -242.833
Base-Backbone interact. energy: -0.992
local terms energy: -256.839801
where:
bonds (distance) C4'-P energy: -38.438
bonds (distance) P-C4' energy: -43.203
flat angles C4'-P-C4' energy: -60.769
flat angles P-C4'-P energy: -43.860
tors. eta vs tors. theta energy: -70.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -781.595256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.595256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.595256 (E_RNA)
where:
Base-Base interactions energy: -537.099
where: short stacking energy: -227.135
Base-Backbone interact. energy: -0.754
local terms energy: -243.742051
where:
bonds (distance) C4'-P energy: -43.330
bonds (distance) P-C4' energy: -44.226
flat angles C4'-P-C4' energy: -56.341
flat angles P-C4'-P energy: -37.868
tors. eta vs tors. theta energy: -61.977
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: 4
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -792.812325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.812325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.812325 (E_RNA)
where:
Base-Base interactions energy: -548.796
where: short stacking energy: -211.977
Base-Backbone interact. energy: -0.740
local terms energy: -243.276734
where:
bonds (distance) C4'-P energy: -47.777
bonds (distance) P-C4' energy: -48.863
flat angles C4'-P-C4' energy: -52.208
flat angles P-C4'-P energy: -35.747
tors. eta vs tors. theta energy: -58.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -697.828827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.828827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.828827 (E_RNA)
where:
Base-Base interactions energy: -460.198
where: short stacking energy: -198.250
Base-Backbone interact. energy: -1.677
local terms energy: -235.953256
where:
bonds (distance) C4'-P energy: -54.448
bonds (distance) P-C4' energy: -40.103
flat angles C4'-P-C4' energy: -56.746
flat angles P-C4'-P energy: -34.272
tors. eta vs tors. theta energy: -50.384
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: 8, replica: 5
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -636.937574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.937574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.937574 (E_RNA)
where:
Base-Base interactions energy: -442.379
where: short stacking energy: -169.089
Base-Backbone interact. energy: -1.746
local terms energy: -192.812249
where:
bonds (distance) C4'-P energy: -37.877
bonds (distance) P-C4' energy: -34.475
flat angles C4'-P-C4' energy: -47.731
flat angles P-C4'-P energy: -31.048
tors. eta vs tors. theta energy: -41.681
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: 9
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -541.468886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.468886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.468886 (E_RNA)
where:
Base-Base interactions energy: -354.312
where: short stacking energy: -149.877
Base-Backbone interact. energy: -0.993
local terms energy: -186.163805
where:
bonds (distance) C4'-P energy: -40.537
bonds (distance) P-C4' energy: -38.310
flat angles C4'-P-C4' energy: -51.034
flat angles P-C4'-P energy: -23.417
tors. eta vs tors. theta energy: -32.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -230.521505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.521505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.521505 (E_RNA)
where:
Base-Base interactions energy: -79.320
where: short stacking energy: -66.717
Base-Backbone interact. energy: -0.908
local terms energy: -150.293772
where:
bonds (distance) C4'-P energy: -38.603
bonds (distance) P-C4' energy: -50.157
flat angles C4'-P-C4' energy: -43.791
flat angles P-C4'-P energy: -19.563
tors. eta vs tors. theta energy: 1.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -956.933917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.933917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.933917 (E_RNA)
where:
Base-Base interactions energy: -659.389
where: short stacking energy: -292.654
Base-Backbone interact. energy: -0.741
local terms energy: -296.803885
where:
bonds (distance) C4'-P energy: -58.424
bonds (distance) P-C4' energy: -52.675
flat angles C4'-P-C4' energy: -61.049
flat angles P-C4'-P energy: -38.753
tors. eta vs tors. theta energy: -85.903
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: 1
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -942.806867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.806867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.806867 (E_RNA)
where:
Base-Base interactions energy: -654.053
where: short stacking energy: -272.402
Base-Backbone interact. energy: 0.002
local terms energy: -288.755374
where:
bonds (distance) C4'-P energy: -52.949
bonds (distance) P-C4' energy: -54.163
flat angles C4'-P-C4' energy: -56.529
flat angles P-C4'-P energy: -46.764
tors. eta vs tors. theta energy: -78.351
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: 10
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -864.627106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.627106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.627106 (E_RNA)
where:
Base-Base interactions energy: -591.809
where: short stacking energy: -252.146
Base-Backbone interact. energy: -1.824
local terms energy: -270.994474
where:
bonds (distance) C4'-P energy: -37.770
bonds (distance) P-C4' energy: -55.283
flat angles C4'-P-C4' energy: -60.947
flat angles P-C4'-P energy: -40.840
tors. eta vs tors. theta energy: -76.155
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: 7
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -835.942482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.942482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.942482 (E_RNA)
where:
Base-Base interactions energy: -569.302
where: short stacking energy: -249.203
Base-Backbone interact. energy: -0.538
local terms energy: -266.103143
where:
bonds (distance) C4'-P energy: -46.398
bonds (distance) P-C4' energy: -53.520
flat angles C4'-P-C4' energy: -52.588
flat angles P-C4'-P energy: -40.224
tors. eta vs tors. theta energy: -73.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -805.858558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.858558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.858558 (E_RNA)
where:
Base-Base interactions energy: -558.058
where: short stacking energy: -223.665
Base-Backbone interact. energy: -2.421
local terms energy: -245.378720
where:
bonds (distance) C4'-P energy: -46.660
bonds (distance) P-C4' energy: -48.890
flat angles C4'-P-C4' energy: -49.424
flat angles P-C4'-P energy: -30.944
tors. eta vs tors. theta energy: -69.461
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: 8
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -777.099944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.099944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.099944 (E_RNA)
where:
Base-Base interactions energy: -524.264
where: short stacking energy: -220.615
Base-Backbone interact. energy: 0.475
local terms energy: -253.311116
where:
bonds (distance) C4'-P energy: -45.434
bonds (distance) P-C4' energy: -47.781
flat angles C4'-P-C4' energy: -50.634
flat angles P-C4'-P energy: -36.892
tors. eta vs tors. theta energy: -72.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -684.212312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.212312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.212312 (E_RNA)
where:
Base-Base interactions energy: -466.099
where: short stacking energy: -215.575
Base-Backbone interact. energy: -0.252
local terms energy: -217.861279
where:
bonds (distance) C4'-P energy: -43.114
bonds (distance) P-C4' energy: -36.902
flat angles C4'-P-C4' energy: -51.953
flat angles P-C4'-P energy: -31.432
tors. eta vs tors. theta energy: -54.461
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: 8, replica: 3
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -671.746084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.746084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.746084 (E_RNA)
where:
Base-Base interactions energy: -468.139
where: short stacking energy: -201.654
Base-Backbone interact. energy: -0.586
local terms energy: -203.021169
where:
bonds (distance) C4'-P energy: -39.386
bonds (distance) P-C4' energy: -38.856
flat angles C4'-P-C4' energy: -41.384
flat angles P-C4'-P energy: -36.179
tors. eta vs tors. theta energy: -47.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -527.336301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.336301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.336301 (E_RNA)
where:
Base-Base interactions energy: -336.358
where: short stacking energy: -145.331
Base-Backbone interact. energy: -0.595
local terms energy: -190.383453
where:
bonds (distance) C4'-P energy: -44.184
bonds (distance) P-C4' energy: -50.205
flat angles C4'-P-C4' energy: -36.769
flat angles P-C4'-P energy: -24.050
tors. eta vs tors. theta energy: -35.175
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: 6
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -225.074180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.074180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.074180 (E_RNA)
where:
Base-Base interactions energy: -108.627
where: short stacking energy: -83.842
Base-Backbone interact. energy: -1.499
local terms energy: -114.948329
where:
bonds (distance) C4'-P energy: -36.281
bonds (distance) P-C4' energy: -39.626
flat angles C4'-P-C4' energy: -32.808
flat angles P-C4'-P energy: -11.358
tors. eta vs tors. theta energy: 5.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -954.724148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.724148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.724148 (E_RNA)
where:
Base-Base interactions energy: -648.843
where: short stacking energy: -292.717
Base-Backbone interact. energy: -1.204
local terms energy: -304.677227
where:
bonds (distance) C4'-P energy: -49.943
bonds (distance) P-C4' energy: -56.335
flat angles C4'-P-C4' energy: -66.500
flat angles P-C4'-P energy: -45.915
tors. eta vs tors. theta energy: -85.985
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: 441
Temperature: 0.950000
Total energy: -915.933274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.933274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.933274 (E_RNA)
where:
Base-Base interactions energy: -629.446
where: short stacking energy: -274.159
Base-Backbone interact. energy: -0.371
local terms energy: -286.116988
where:
bonds (distance) C4'-P energy: -49.876
bonds (distance) P-C4' energy: -55.939
flat angles C4'-P-C4' energy: -61.178
flat angles P-C4'-P energy: -39.220
tors. eta vs tors. theta energy: -79.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -888.335788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.335788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.335788 (E_RNA)
where:
Base-Base interactions energy: -596.742
where: short stacking energy: -248.350
Base-Backbone interact. energy: -0.593
local terms energy: -291.001125
where:
bonds (distance) C4'-P energy: -49.807
bonds (distance) P-C4' energy: -58.251
flat angles C4'-P-C4' energy: -61.318
flat angles P-C4'-P energy: -41.766
tors. eta vs tors. theta energy: -79.860
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: 7
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -860.220028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.220028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.220028 (E_RNA)
where:
Base-Base interactions energy: -604.681
where: short stacking energy: -241.621
Base-Backbone interact. energy: -0.440
local terms energy: -255.099096
where:
bonds (distance) C4'-P energy: -53.108
bonds (distance) P-C4' energy: -52.411
flat angles C4'-P-C4' energy: -52.481
flat angles P-C4'-P energy: -32.921
tors. eta vs tors. theta energy: -64.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -835.247330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.247330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.247330 (E_RNA)
where:
Base-Base interactions energy: -583.750
where: short stacking energy: -240.680
Base-Backbone interact. energy: -0.621
local terms energy: -250.876071
where:
bonds (distance) C4'-P energy: -45.841
bonds (distance) P-C4' energy: -44.752
flat angles C4'-P-C4' energy: -50.673
flat angles P-C4'-P energy: -35.868
tors. eta vs tors. theta energy: -73.742
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: 8
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -784.871030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.871030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.871030 (E_RNA)
where:
Base-Base interactions energy: -536.123
where: short stacking energy: -212.600
Base-Backbone interact. energy: -1.142
local terms energy: -247.606261
where:
bonds (distance) C4'-P energy: -50.553
bonds (distance) P-C4' energy: -53.091
flat angles C4'-P-C4' energy: -50.857
flat angles P-C4'-P energy: -26.988
tors. eta vs tors. theta energy: -66.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -719.344075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.344075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.344075 (E_RNA)
where:
Base-Base interactions energy: -481.891
where: short stacking energy: -202.069
Base-Backbone interact. energy: 0.696
local terms energy: -238.149114
where:
bonds (distance) C4'-P energy: -48.278
bonds (distance) P-C4' energy: -55.230
flat angles C4'-P-C4' energy: -47.137
flat angles P-C4'-P energy: -36.344
tors. eta vs tors. theta energy: -51.160
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: 3
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -641.602316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.602316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.602316 (E_RNA)
where:
Base-Base interactions energy: -421.482
where: short stacking energy: -189.883
Base-Backbone interact. energy: -1.725
local terms energy: -218.395645
where:
bonds (distance) C4'-P energy: -43.072
bonds (distance) P-C4' energy: -42.344
flat angles C4'-P-C4' energy: -50.815
flat angles P-C4'-P energy: -32.986
tors. eta vs tors. theta energy: -49.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -563.958270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.958270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.958270 (E_RNA)
where:
Base-Base interactions energy: -352.206
where: short stacking energy: -148.208
Base-Backbone interact. energy: -2.312
local terms energy: -209.439686
where:
bonds (distance) C4'-P energy: -46.164
bonds (distance) P-C4' energy: -45.508
flat angles C4'-P-C4' energy: -44.518
flat angles P-C4'-P energy: -30.890
tors. eta vs tors. theta energy: -42.359
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: 10, replica: 6
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -222.133516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.133516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.133516 (E_RNA)
where:
Base-Base interactions energy: -78.084
where: short stacking energy: -76.112
Base-Backbone interact. energy: -0.776
local terms energy: -143.273274
where:
bonds (distance) C4'-P energy: -46.734
bonds (distance) P-C4' energy: -41.986
flat angles C4'-P-C4' energy: -27.492
flat angles P-C4'-P energy: -26.470
tors. eta vs tors. theta energy: -0.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -959.044491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.044491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.044491 (E_RNA)
where:
Base-Base interactions energy: -656.357
where: short stacking energy: -278.766
Base-Backbone interact. energy: -0.330
local terms energy: -302.357757
where:
bonds (distance) C4'-P energy: -55.846
bonds (distance) P-C4' energy: -63.725
flat angles C4'-P-C4' energy: -54.429
flat angles P-C4'-P energy: -43.517
tors. eta vs tors. theta energy: -84.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -907.780404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.780404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.780404 (E_RNA)
where:
Base-Base interactions energy: -620.571
where: short stacking energy: -276.264
Base-Backbone interact. energy: -0.389
local terms energy: -286.820201
where:
bonds (distance) C4'-P energy: -52.991
bonds (distance) P-C4' energy: -53.714
flat angles C4'-P-C4' energy: -53.134
flat angles P-C4'-P energy: -45.635
tors. eta vs tors. theta energy: -81.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -850.548257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.548257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.548257 (E_RNA)
where:
Base-Base interactions energy: -577.913
where: short stacking energy: -249.631
Base-Backbone interact. energy: -0.425
local terms energy: -272.209580
where:
bonds (distance) C4'-P energy: -51.448
bonds (distance) P-C4' energy: -55.826
flat angles C4'-P-C4' energy: -54.249
flat angles P-C4'-P energy: -36.626
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: 4, replica: 7
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -850.222635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.222635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.222635 (E_RNA)
where:
Base-Base interactions energy: -559.709
where: short stacking energy: -252.486
Base-Backbone interact. energy: -0.437
local terms energy: -290.076693
where:
bonds (distance) C4'-P energy: -61.084
bonds (distance) P-C4' energy: -52.216
flat angles C4'-P-C4' energy: -57.515
flat angles P-C4'-P energy: -42.360
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: 5, replica: 4
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -819.401575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.401575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.401575 (E_RNA)
where:
Base-Base interactions energy: -564.907
where: short stacking energy: -243.589
Base-Backbone interact. energy: -0.348
local terms energy: -254.145849
where:
bonds (distance) C4'-P energy: -50.101
bonds (distance) P-C4' energy: -44.518
flat angles C4'-P-C4' energy: -53.491
flat angles P-C4'-P energy: -30.159
tors. eta vs tors. theta energy: -75.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -772.257174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.257174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.257174 (E_RNA)
where:
Base-Base interactions energy: -523.868
where: short stacking energy: -219.890
Base-Backbone interact. energy: -1.036
local terms energy: -247.352942
where:
bonds (distance) C4'-P energy: -52.062
bonds (distance) P-C4' energy: -48.335
flat angles C4'-P-C4' energy: -46.583
flat angles P-C4'-P energy: -32.307
tors. eta vs tors. theta energy: -68.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -706.521408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.521408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.521408 (E_RNA)
where:
Base-Base interactions energy: -468.938
where: short stacking energy: -197.381
Base-Backbone interact. energy: -1.671
local terms energy: -235.912596
where:
bonds (distance) C4'-P energy: -54.982
bonds (distance) P-C4' energy: -44.393
flat angles C4'-P-C4' energy: -58.053
flat angles P-C4'-P energy: -32.312
tors. eta vs tors. theta energy: -46.172
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: 3
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -657.955985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.955985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.955985 (E_RNA)
where:
Base-Base interactions energy: -449.751
where: short stacking energy: -178.511
Base-Backbone interact. energy: -2.209
local terms energy: -205.995938
where:
bonds (distance) C4'-P energy: -37.488
bonds (distance) P-C4' energy: -52.467
flat angles C4'-P-C4' energy: -47.172
flat angles P-C4'-P energy: -24.838
tors. eta vs tors. theta energy: -44.031
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: 442
Temperature: 1.300000
Total energy: -589.544590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.544590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.544590 (E_RNA)
where:
Base-Base interactions energy: -390.828
where: short stacking energy: -177.761
Base-Backbone interact. energy: -0.626
local terms energy: -198.090836
where:
bonds (distance) C4'-P energy: -36.597
bonds (distance) P-C4' energy: -43.623
flat angles C4'-P-C4' energy: -49.744
flat angles P-C4'-P energy: -24.442
tors. eta vs tors. theta energy: -43.684
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: 6
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -246.032929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.032929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.032929 (E_RNA)
where:
Base-Base interactions energy: -90.316
where: short stacking energy: -77.635
Base-Backbone interact. energy: 1.475
local terms energy: -157.192183
where:
bonds (distance) C4'-P energy: -52.161
bonds (distance) P-C4' energy: -41.171
flat angles C4'-P-C4' energy: -39.568
flat angles P-C4'-P energy: -24.837
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: 2
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -970.431826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.431826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.431826 (E_RNA)
where:
Base-Base interactions energy: -671.491
where: short stacking energy: -286.222
Base-Backbone interact. energy: -0.732
local terms energy: -298.209310
where:
bonds (distance) C4'-P energy: -49.384
bonds (distance) P-C4' energy: -49.859
flat angles C4'-P-C4' energy: -66.369
flat angles P-C4'-P energy: -47.801
tors. eta vs tors. theta energy: -84.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -911.907174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.907174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.907174 (E_RNA)
where:
Base-Base interactions energy: -643.377
where: short stacking energy: -272.197
Base-Backbone interact. energy: -1.096
local terms energy: -267.434286
where:
bonds (distance) C4'-P energy: -49.256
bonds (distance) P-C4' energy: -46.112
flat angles C4'-P-C4' energy: -53.210
flat angles P-C4'-P energy: -39.419
tors. eta vs tors. theta energy: -79.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -879.467880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.467880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.467880 (E_RNA)
where:
Base-Base interactions energy: -608.165
where: short stacking energy: -271.877
Base-Backbone interact. energy: -0.529
local terms energy: -270.774219
where:
bonds (distance) C4'-P energy: -48.562
bonds (distance) P-C4' energy: -53.331
flat angles C4'-P-C4' energy: -48.623
flat angles P-C4'-P energy: -41.472
tors. eta vs tors. theta energy: -78.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -870.889499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.889499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.889499 (E_RNA)
where:
Base-Base interactions energy: -595.284
where: short stacking energy: -258.487
Base-Backbone interact. energy: -0.940
local terms energy: -274.665507
where:
bonds (distance) C4'-P energy: -55.329
bonds (distance) P-C4' energy: -54.173
flat angles C4'-P-C4' energy: -57.606
flat angles P-C4'-P energy: -35.015
tors. eta vs tors. theta energy: -72.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -809.519602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.519602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.519602 (E_RNA)
where:
Base-Base interactions energy: -571.430
where: short stacking energy: -228.403
Base-Backbone interact. energy: 1.159
local terms energy: -239.248887
where:
bonds (distance) C4'-P energy: -36.357
bonds (distance) P-C4' energy: -44.983
flat angles C4'-P-C4' energy: -51.493
flat angles P-C4'-P energy: -43.210
tors. eta vs tors. theta energy: -63.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -770.480147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.480147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.480147 (E_RNA)
where:
Base-Base interactions energy: -531.202
where: short stacking energy: -218.418
Base-Backbone interact. energy: -0.598
local terms energy: -238.680585
where:
bonds (distance) C4'-P energy: -45.134
bonds (distance) P-C4' energy: -46.747
flat angles C4'-P-C4' energy: -44.091
flat angles P-C4'-P energy: -36.961
tors. eta vs tors. theta energy: -65.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -686.305600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.305600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.305600 (E_RNA)
where:
Base-Base interactions energy: -467.499
where: short stacking energy: -206.171
Base-Backbone interact. energy: -1.653
local terms energy: -217.153436
where:
bonds (distance) C4'-P energy: -46.820
bonds (distance) P-C4' energy: -45.042
flat angles C4'-P-C4' energy: -51.013
flat angles P-C4'-P energy: -15.262
tors. eta vs tors. theta energy: -59.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -644.293740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.293740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.293740 (E_RNA)
where:
Base-Base interactions energy: -419.414
where: short stacking energy: -178.808
Base-Backbone interact. energy: -0.524
local terms energy: -224.355459
where:
bonds (distance) C4'-P energy: -47.008
bonds (distance) P-C4' energy: -49.385
flat angles C4'-P-C4' energy: -54.512
flat angles P-C4'-P energy: -27.790
tors. eta vs tors. theta energy: -45.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -554.459262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.459262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.459262 (E_RNA)
where:
Base-Base interactions energy: -386.352
where: short stacking energy: -175.683
Base-Backbone interact. energy: -0.401
local terms energy: -167.706660
where:
bonds (distance) C4'-P energy: -28.301
bonds (distance) P-C4' energy: -36.071
flat angles C4'-P-C4' energy: -38.523
flat angles P-C4'-P energy: -26.605
tors. eta vs tors. theta energy: -38.207
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: 6
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -211.473596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.473596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.473596 (E_RNA)
where:
Base-Base interactions energy: -73.244
where: short stacking energy: -61.169
Base-Backbone interact. energy: -1.709
local terms energy: -136.520961
where:
bonds (distance) C4'-P energy: -39.233
bonds (distance) P-C4' energy: -46.210
flat angles C4'-P-C4' energy: -40.175
flat angles P-C4'-P energy: -19.100
tors. eta vs tors. theta energy: 8.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -957.131135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.131135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.131135 (E_RNA)
where:
Base-Base interactions energy: -680.946
where: short stacking energy: -281.785
Base-Backbone interact. energy: -1.089
local terms energy: -275.095310
where:
bonds (distance) C4'-P energy: -49.964
bonds (distance) P-C4' energy: -44.470
flat angles C4'-P-C4' energy: -60.425
flat angles P-C4'-P energy: -39.289
tors. eta vs tors. theta energy: -80.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -932.811200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.811200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.811200 (E_RNA)
where:
Base-Base interactions energy: -638.754
where: short stacking energy: -286.175
Base-Backbone interact. energy: -0.979
local terms energy: -293.078299
where:
bonds (distance) C4'-P energy: -53.285
bonds (distance) P-C4' energy: -50.256
flat angles C4'-P-C4' energy: -60.758
flat angles P-C4'-P energy: -43.527
tors. eta vs tors. theta energy: -85.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -874.359568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.359568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.359568 (E_RNA)
where:
Base-Base interactions energy: -610.415
where: short stacking energy: -258.530
Base-Backbone interact. energy: -0.989
local terms energy: -262.955505
where:
bonds (distance) C4'-P energy: -43.717
bonds (distance) P-C4' energy: -41.956
flat angles C4'-P-C4' energy: -62.559
flat angles P-C4'-P energy: -43.020
tors. eta vs tors. theta energy: -71.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -861.815909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.815909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.815909 (E_RNA)
where:
Base-Base interactions energy: -592.255
where: short stacking energy: -254.080
Base-Backbone interact. energy: -0.403
local terms energy: -269.158509
where:
bonds (distance) C4'-P energy: -43.428
bonds (distance) P-C4' energy: -55.869
flat angles C4'-P-C4' energy: -59.424
flat angles P-C4'-P energy: -33.927
tors. eta vs tors. theta energy: -76.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -807.130184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.130184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.130184 (E_RNA)
where:
Base-Base interactions energy: -559.636
where: short stacking energy: -219.518
Base-Backbone interact. energy: -0.568
local terms energy: -246.926272
where:
bonds (distance) C4'-P energy: -42.993
bonds (distance) P-C4' energy: -44.753
flat angles C4'-P-C4' energy: -56.446
flat angles P-C4'-P energy: -37.387
tors. eta vs tors. theta energy: -65.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -752.432771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.432771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.432771 (E_RNA)
where:
Base-Base interactions energy: -510.547
where: short stacking energy: -232.259
Base-Backbone interact. energy: -0.486
local terms energy: -241.400130
where:
bonds (distance) C4'-P energy: -43.379
bonds (distance) P-C4' energy: -44.516
flat angles C4'-P-C4' energy: -51.505
flat angles P-C4'-P energy: -30.046
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: 7, replica: 5
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -705.394392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.394392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.394392 (E_RNA)
where:
Base-Base interactions energy: -488.452
where: short stacking energy: -205.754
Base-Backbone interact. energy: -3.642
local terms energy: -213.300458
where:
bonds (distance) C4'-P energy: -39.513
bonds (distance) P-C4' energy: -50.275
flat angles C4'-P-C4' energy: -45.511
flat angles P-C4'-P energy: -27.658
tors. eta vs tors. theta energy: -50.343
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: 3
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -659.641346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.641346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.641346 (E_RNA)
where:
Base-Base interactions energy: -438.567
where: short stacking energy: -192.353
Base-Backbone interact. energy: -0.356
local terms energy: -220.718750
where:
bonds (distance) C4'-P energy: -45.850
bonds (distance) P-C4' energy: -42.754
flat angles C4'-P-C4' energy: -53.516
flat angles P-C4'-P energy: -28.558
tors. eta vs tors. theta energy: -50.041
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: 9, replica: 9
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -560.367318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.367318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.367318 (E_RNA)
where:
Base-Base interactions energy: -359.010
where: short stacking energy: -159.987
Base-Backbone interact. energy: -1.160
local terms energy: -200.197299
where:
bonds (distance) C4'-P energy: -48.280
bonds (distance) P-C4' energy: -49.846
flat angles C4'-P-C4' energy: -34.741
flat angles P-C4'-P energy: -28.993
tors. eta vs tors. theta energy: -38.337
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: 6
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -258.498251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.498251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.498251 (E_RNA)
where:
Base-Base interactions energy: -114.755
where: short stacking energy: -91.927
Base-Backbone interact. energy: -1.202
local terms energy: -142.541614
where:
bonds (distance) C4'-P energy: -42.216
bonds (distance) P-C4' energy: -36.871
flat angles C4'-P-C4' energy: -32.465
flat angles P-C4'-P energy: -23.925
tors. eta vs tors. theta energy: -7.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -960.521161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.521161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.521161 (E_RNA)
where:
Base-Base interactions energy: -662.707
where: short stacking energy: -291.256
Base-Backbone interact. energy: 1.296
local terms energy: -299.109686
where:
bonds (distance) C4'-P energy: -50.254
bonds (distance) P-C4' energy: -56.956
flat angles C4'-P-C4' energy: -60.702
flat angles P-C4'-P energy: -49.123
tors. eta vs tors. theta energy: -82.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -932.485374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.485374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.485374 (E_RNA)
where:
Base-Base interactions energy: -645.380
where: short stacking energy: -271.297
Base-Backbone interact. energy: -0.526
local terms energy: -286.580009
where:
bonds (distance) C4'-P energy: -53.650
bonds (distance) P-C4' energy: -53.236
flat angles C4'-P-C4' energy: -55.871
flat angles P-C4'-P energy: -37.489
tors. eta vs tors. theta energy: -86.335
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: 3, replica: 7
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -872.046367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.046367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.046367 (E_RNA)
where:
Base-Base interactions energy: -595.552
where: short stacking energy: -255.459
Base-Backbone interact. energy: -1.184
local terms energy: -275.310461
where:
bonds (distance) C4'-P energy: -62.062
bonds (distance) P-C4' energy: -50.903
flat angles C4'-P-C4' energy: -59.672
flat angles P-C4'-P energy: -31.323
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: 4, replica: 10
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -842.782665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.782665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.782665 (E_RNA)
where:
Base-Base interactions energy: -588.063
where: short stacking energy: -235.512
Base-Backbone interact. energy: -0.451
local terms energy: -254.267866
where:
bonds (distance) C4'-P energy: -41.633
bonds (distance) P-C4' energy: -49.968
flat angles C4'-P-C4' energy: -51.597
flat angles P-C4'-P energy: -44.120
tors. eta vs tors. theta energy: -66.950
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: 5, replica: 4
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -795.009447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.009447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.009447 (E_RNA)
where:
Base-Base interactions energy: -542.661
where: short stacking energy: -230.808
Base-Backbone interact. energy: -0.951
local terms energy: -251.397810
where:
bonds (distance) C4'-P energy: -41.197
bonds (distance) P-C4' energy: -44.956
flat angles C4'-P-C4' energy: -60.195
flat angles P-C4'-P energy: -35.829
tors. eta vs tors. theta energy: -69.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -765.384394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.384394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.384394 (E_RNA)
where:
Base-Base interactions energy: -522.620
where: short stacking energy: -216.853
Base-Backbone interact. energy: 1.702
local terms energy: -244.466270
where:
bonds (distance) C4'-P energy: -49.658
bonds (distance) P-C4' energy: -51.818
flat angles C4'-P-C4' energy: -46.587
flat angles P-C4'-P energy: -36.228
tors. eta vs tors. theta energy: -60.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -709.286870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.286870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.286870 (E_RNA)
where:
Base-Base interactions energy: -496.609
where: short stacking energy: -194.805
Base-Backbone interact. energy: -0.711
local terms energy: -211.966190
where:
bonds (distance) C4'-P energy: -46.871
bonds (distance) P-C4' energy: -52.070
flat angles C4'-P-C4' energy: -44.632
flat angles P-C4'-P energy: -24.340
tors. eta vs tors. theta energy: -44.053
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: 8, replica: 3
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -638.420321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.420321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.420321 (E_RNA)
where:
Base-Base interactions energy: -453.126
where: short stacking energy: -193.296
Base-Backbone interact. energy: -0.167
local terms energy: -185.127506
where:
bonds (distance) C4'-P energy: -31.406
bonds (distance) P-C4' energy: -46.237
flat angles C4'-P-C4' energy: -47.782
flat angles P-C4'-P energy: -18.326
tors. eta vs tors. theta energy: -41.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -545.113333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.113333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.113333 (E_RNA)
where:
Base-Base interactions energy: -340.234
where: short stacking energy: -155.365
Base-Backbone interact. energy: -1.865
local terms energy: -203.014241
where:
bonds (distance) C4'-P energy: -43.006
bonds (distance) P-C4' energy: -43.319
flat angles C4'-P-C4' energy: -47.319
flat angles P-C4'-P energy: -34.244
tors. eta vs tors. theta energy: -35.126
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: 6
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -266.507113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.507113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.507113 (E_RNA)
where:
Base-Base interactions energy: -108.766
where: short stacking energy: -66.247
Base-Backbone interact. energy: -2.385
local terms energy: -155.356471
where:
bonds (distance) C4'-P energy: -39.515
bonds (distance) P-C4' energy: -55.413
flat angles C4'-P-C4' energy: -41.175
flat angles P-C4'-P energy: -21.625
tors. eta vs tors. theta energy: 2.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -950.611248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.611248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.611248 (E_RNA)
where:
Base-Base interactions energy: -667.884
where: short stacking energy: -303.016
Base-Backbone interact. energy: -1.269
local terms energy: -281.458884
where:
bonds (distance) C4'-P energy: -49.283
bonds (distance) P-C4' energy: -50.693
flat angles C4'-P-C4' energy: -50.245
flat angles P-C4'-P energy: -42.812
tors. eta vs tors. theta energy: -88.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -930.248727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.248727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.248727 (E_RNA)
where:
Base-Base interactions energy: -639.928
where: short stacking energy: -272.410
Base-Backbone interact. energy: -2.458
local terms energy: -287.863010
where:
bonds (distance) C4'-P energy: -44.941
bonds (distance) P-C4' energy: -53.797
flat angles C4'-P-C4' energy: -61.187
flat angles P-C4'-P energy: -44.616
tors. eta vs tors. theta energy: -83.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -864.664282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.664282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.664282 (E_RNA)
where:
Base-Base interactions energy: -598.679
where: short stacking energy: -254.485
Base-Backbone interact. energy: -1.129
local terms energy: -264.856955
where:
bonds (distance) C4'-P energy: -46.446
bonds (distance) P-C4' energy: -54.470
flat angles C4'-P-C4' energy: -55.405
flat angles P-C4'-P energy: -32.644
tors. eta vs tors. theta energy: -75.893
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: 4, replica: 7
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -859.212588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.212588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.212588 (E_RNA)
where:
Base-Base interactions energy: -597.149
where: short stacking energy: -255.472
Base-Backbone interact. energy: -0.768
local terms energy: -261.296451
where:
bonds (distance) C4'-P energy: -44.336
bonds (distance) P-C4' energy: -55.559
flat angles C4'-P-C4' energy: -58.070
flat angles P-C4'-P energy: -38.312
tors. eta vs tors. theta energy: -65.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -788.866537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.866537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.866537 (E_RNA)
where:
Base-Base interactions energy: -534.403
where: short stacking energy: -227.312
Base-Backbone interact. energy: -0.182
local terms energy: -254.281185
where:
bonds (distance) C4'-P energy: -41.192
bonds (distance) P-C4' energy: -54.817
flat angles C4'-P-C4' energy: -57.483
flat angles P-C4'-P energy: -35.723
tors. eta vs tors. theta energy: -65.066
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: 8
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -753.318445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.318445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.318445 (E_RNA)
where:
Base-Base interactions energy: -523.513
where: short stacking energy: -207.330
Base-Backbone interact. energy: 0.798
local terms energy: -230.602931
where:
bonds (distance) C4'-P energy: -44.208
bonds (distance) P-C4' energy: -41.991
flat angles C4'-P-C4' energy: -55.358
flat angles P-C4'-P energy: -34.313
tors. eta vs tors. theta energy: -54.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -743.461283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.461283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.461283 (E_RNA)
where:
Base-Base interactions energy: -511.850
where: short stacking energy: -220.054
Base-Backbone interact. energy: -2.625
local terms energy: -228.986409
where:
bonds (distance) C4'-P energy: -48.075
bonds (distance) P-C4' energy: -31.124
flat angles C4'-P-C4' energy: -48.294
flat angles P-C4'-P energy: -34.611
tors. eta vs tors. theta energy: -66.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -645.559120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.559120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.559120 (E_RNA)
where:
Base-Base interactions energy: -428.098
where: short stacking energy: -177.481
Base-Backbone interact. energy: 1.185
local terms energy: -218.646086
where:
bonds (distance) C4'-P energy: -45.518
bonds (distance) P-C4' energy: -50.584
flat angles C4'-P-C4' energy: -44.495
flat angles P-C4'-P energy: -32.917
tors. eta vs tors. theta energy: -45.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -523.187522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.187522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.187522 (E_RNA)
where:
Base-Base interactions energy: -327.245
where: short stacking energy: -144.946
Base-Backbone interact. energy: -1.788
local terms energy: -194.154125
where:
bonds (distance) C4'-P energy: -43.902
bonds (distance) P-C4' energy: -53.189
flat angles C4'-P-C4' energy: -38.152
flat angles P-C4'-P energy: -29.977
tors. eta vs tors. theta energy: -28.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -223.747876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.747876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.747876 (E_RNA)
where:
Base-Base interactions energy: -98.812
where: short stacking energy: -74.200
Base-Backbone interact. energy: 0.140
local terms energy: -125.075615
where:
bonds (distance) C4'-P energy: -38.790
bonds (distance) P-C4' energy: -52.275
flat angles C4'-P-C4' energy: -25.917
flat angles P-C4'-P energy: -15.795
tors. eta vs tors. theta energy: 7.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -978.099536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.099536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.099536 (E_RNA)
where:
Base-Base interactions energy: -682.826
where: short stacking energy: -297.184
Base-Backbone interact. energy: -0.704
local terms energy: -294.570251
where:
bonds (distance) C4'-P energy: -47.458
bonds (distance) P-C4' energy: -54.564
flat angles C4'-P-C4' energy: -60.012
flat angles P-C4'-P energy: -42.671
tors. eta vs tors. theta energy: -89.866
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: 2
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -942.598060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.598060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.598060 (E_RNA)
where:
Base-Base interactions energy: -653.079
where: short stacking energy: -282.502
Base-Backbone interact. energy: -3.022
local terms energy: -286.497018
where:
bonds (distance) C4'-P energy: -48.655
bonds (distance) P-C4' energy: -46.430
flat angles C4'-P-C4' energy: -59.389
flat angles P-C4'-P energy: -45.574
tors. eta vs tors. theta energy: -86.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -859.309578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.309578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.309578 (E_RNA)
where:
Base-Base interactions energy: -594.676
where: short stacking energy: -249.727
Base-Backbone interact. energy: -0.662
local terms energy: -263.971116
where:
bonds (distance) C4'-P energy: -46.999
bonds (distance) P-C4' energy: -45.882
flat angles C4'-P-C4' energy: -59.854
flat angles P-C4'-P energy: -35.660
tors. eta vs tors. theta energy: -75.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -826.364787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.364787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.364787 (E_RNA)
where:
Base-Base interactions energy: -562.297
where: short stacking energy: -237.561
Base-Backbone interact. energy: -1.611
local terms energy: -262.457504
where:
bonds (distance) C4'-P energy: -41.103
bonds (distance) P-C4' energy: -51.054
flat angles C4'-P-C4' energy: -55.095
flat angles P-C4'-P energy: -41.632
tors. eta vs tors. theta energy: -73.574
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: 4
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -791.028750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.028750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.028750 (E_RNA)
where:
Base-Base interactions energy: -555.922
where: short stacking energy: -230.933
Base-Backbone interact. energy: -0.749
local terms energy: -234.357877
where:
bonds (distance) C4'-P energy: -41.678
bonds (distance) P-C4' energy: -48.269
flat angles C4'-P-C4' energy: -51.436
flat angles P-C4'-P energy: -38.195
tors. eta vs tors. theta energy: -54.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -762.322864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.322864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.322864 (E_RNA)
where:
Base-Base interactions energy: -523.100
where: short stacking energy: -219.638
Base-Backbone interact. energy: 2.205
local terms energy: -241.428425
where:
bonds (distance) C4'-P energy: -46.873
bonds (distance) P-C4' energy: -41.353
flat angles C4'-P-C4' energy: -62.142
flat angles P-C4'-P energy: -32.649
tors. eta vs tors. theta energy: -58.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -721.262217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.262217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.262217 (E_RNA)
where:
Base-Base interactions energy: -508.946
where: short stacking energy: -215.045
Base-Backbone interact. energy: -0.321
local terms energy: -211.995336
where:
bonds (distance) C4'-P energy: -34.932
bonds (distance) P-C4' energy: -44.963
flat angles C4'-P-C4' energy: -50.351
flat angles P-C4'-P energy: -24.332
tors. eta vs tors. theta energy: -57.417
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: 3
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -653.263534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.263534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.263534 (E_RNA)
where:
Base-Base interactions energy: -443.720
where: short stacking energy: -172.559
Base-Backbone interact. energy: -1.071
local terms energy: -208.472259
where:
bonds (distance) C4'-P energy: -44.703
bonds (distance) P-C4' energy: -41.170
flat angles C4'-P-C4' energy: -46.253
flat angles P-C4'-P energy: -29.933
tors. eta vs tors. theta energy: -46.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -501.814245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.814245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.814245 (E_RNA)
where:
Base-Base interactions energy: -337.931
where: short stacking energy: -152.081
Base-Backbone interact. energy: 3.594
local terms energy: -167.477742
where:
bonds (distance) C4'-P energy: -47.952
bonds (distance) P-C4' energy: -39.358
flat angles C4'-P-C4' energy: -31.687
flat angles P-C4'-P energy: -22.870
tors. eta vs tors. theta energy: -25.611
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: 6
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -228.930496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.930496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.930496 (E_RNA)
where:
Base-Base interactions energy: -80.876
where: short stacking energy: -63.778
Base-Backbone interact. energy: -0.381
local terms energy: -147.672937
where:
bonds (distance) C4'-P energy: -39.109
bonds (distance) P-C4' energy: -44.997
flat angles C4'-P-C4' energy: -39.169
flat angles P-C4'-P energy: -23.836
tors. eta vs tors. theta energy: -0.562
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: 2
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -964.221043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.221043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.221043 (E_RNA)
where:
Base-Base interactions energy: -675.038
where: short stacking energy: -286.035
Base-Backbone interact. energy: 0.248
local terms energy: -289.430779
where:
bonds (distance) C4'-P energy: -54.997
bonds (distance) P-C4' energy: -53.368
flat angles C4'-P-C4' energy: -58.008
flat angles P-C4'-P energy: -39.228
tors. eta vs tors. theta energy: -83.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -957.796321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.796321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.796321 (E_RNA)
where:
Base-Base interactions energy: -663.247
where: short stacking energy: -298.903
Base-Backbone interact. energy: -0.597
local terms energy: -293.952796
where:
bonds (distance) C4'-P energy: -53.540
bonds (distance) P-C4' energy: -54.822
flat angles C4'-P-C4' energy: -60.018
flat angles P-C4'-P energy: -35.806
tors. eta vs tors. theta energy: -89.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -856.141578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.141578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.141578 (E_RNA)
where:
Base-Base interactions energy: -597.363
where: short stacking energy: -267.740
Base-Backbone interact. energy: -0.066
local terms energy: -258.712600
where:
bonds (distance) C4'-P energy: -45.117
bonds (distance) P-C4' energy: -45.279
flat angles C4'-P-C4' energy: -57.055
flat angles P-C4'-P energy: -30.063
tors. eta vs tors. theta energy: -81.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -835.866086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.866086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.866086 (E_RNA)
where:
Base-Base interactions energy: -571.871
where: short stacking energy: -248.764
Base-Backbone interact. energy: -0.718
local terms energy: -263.277375
where:
bonds (distance) C4'-P energy: -49.760
bonds (distance) P-C4' energy: -48.711
flat angles C4'-P-C4' energy: -56.395
flat angles P-C4'-P energy: -37.864
tors. eta vs tors. theta energy: -70.547
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: 8
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -818.001751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.001751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.001751 (E_RNA)
where:
Base-Base interactions energy: -558.742
where: short stacking energy: -226.980
Base-Backbone interact. energy: 1.969
local terms energy: -261.228101
where:
bonds (distance) C4'-P energy: -47.903
bonds (distance) P-C4' energy: -51.858
flat angles C4'-P-C4' energy: -57.097
flat angles P-C4'-P energy: -38.083
tors. eta vs tors. theta energy: -66.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -761.427409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.427409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.427409 (E_RNA)
where:
Base-Base interactions energy: -512.944
where: short stacking energy: -223.862
Base-Backbone interact. energy: -0.093
local terms energy: -248.390431
where:
bonds (distance) C4'-P energy: -40.621
bonds (distance) P-C4' energy: -54.835
flat angles C4'-P-C4' energy: -52.965
flat angles P-C4'-P energy: -40.378
tors. eta vs tors. theta energy: -59.592
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: 5
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -738.202083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.202083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.202083 (E_RNA)
where:
Base-Base interactions energy: -509.379
where: short stacking energy: -208.773
Base-Backbone interact. energy: -0.890
local terms energy: -227.933529
where:
bonds (distance) C4'-P energy: -41.647
bonds (distance) P-C4' energy: -38.803
flat angles C4'-P-C4' energy: -54.295
flat angles P-C4'-P energy: -31.518
tors. eta vs tors. theta energy: -61.670
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: 3
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -691.583183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.583183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.583183 (E_RNA)
where:
Base-Base interactions energy: -498.051
where: short stacking energy: -186.499
Base-Backbone interact. energy: -1.474
local terms energy: -192.057964
where:
bonds (distance) C4'-P energy: -38.423
bonds (distance) P-C4' energy: -42.664
flat angles C4'-P-C4' energy: -43.281
flat angles P-C4'-P energy: -21.461
tors. eta vs tors. theta energy: -46.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -520.600064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.600064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.600064 (E_RNA)
where:
Base-Base interactions energy: -338.400
where: short stacking energy: -137.391
Base-Backbone interact. energy: -0.954
local terms energy: -181.245665
where:
bonds (distance) C4'-P energy: -48.739
bonds (distance) P-C4' energy: -45.654
flat angles C4'-P-C4' energy: -38.435
flat angles P-C4'-P energy: -26.215
tors. eta vs tors. theta energy: -22.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -227.079215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.079215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.079215 (E_RNA)
where:
Base-Base interactions energy: -88.476
where: short stacking energy: -80.103
Base-Backbone interact. energy: -1.251
local terms energy: -137.352677
where:
bonds (distance) C4'-P energy: -39.519
bonds (distance) P-C4' energy: -42.137
flat angles C4'-P-C4' energy: -38.014
flat angles P-C4'-P energy: -19.605
tors. eta vs tors. theta energy: 1.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -968.858508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.858508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.858508 (E_RNA)
where:
Base-Base interactions energy: -684.987
where: short stacking energy: -288.349
Base-Backbone interact. energy: -0.695
local terms energy: -283.176617
where:
bonds (distance) C4'-P energy: -44.947
bonds (distance) P-C4' energy: -52.574
flat angles C4'-P-C4' energy: -61.792
flat angles P-C4'-P energy: -40.629
tors. eta vs tors. theta energy: -83.234
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: 449
Temperature: 0.950000
Total energy: -933.149347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.149347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.149347 (E_RNA)
where:
Base-Base interactions energy: -638.320
where: short stacking energy: -275.347
Base-Backbone interact. energy: -1.229
local terms energy: -293.599993
where:
bonds (distance) C4'-P energy: -54.542
bonds (distance) P-C4' energy: -50.336
flat angles C4'-P-C4' energy: -60.471
flat angles P-C4'-P energy: -41.359
tors. eta vs tors. theta energy: -86.892
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: 3, replica: 10
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -870.861582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.861582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.861582 (E_RNA)
where:
Base-Base interactions energy: -596.925
where: short stacking energy: -265.410
Base-Backbone interact. energy: 1.059
local terms energy: -274.995120
where:
bonds (distance) C4'-P energy: -51.537
bonds (distance) P-C4' energy: -42.258
flat angles C4'-P-C4' energy: -57.692
flat angles P-C4'-P energy: -38.882
tors. eta vs tors. theta energy: -84.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -822.277816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.277816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.277816 (E_RNA)
where:
Base-Base interactions energy: -554.258
where: short stacking energy: -240.285
Base-Backbone interact. energy: -0.545
local terms energy: -267.474758
where:
bonds (distance) C4'-P energy: -49.726
bonds (distance) P-C4' energy: -54.833
flat angles C4'-P-C4' energy: -51.805
flat angles P-C4'-P energy: -43.944
tors. eta vs tors. theta energy: -67.166
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: 5, replica: 7
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -812.877619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.877619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.877619 (E_RNA)
where:
Base-Base interactions energy: -559.246
where: short stacking energy: -252.065
Base-Backbone interact. energy: 1.288
local terms energy: -254.919470
where:
bonds (distance) C4'-P energy: -48.510
bonds (distance) P-C4' energy: -50.717
flat angles C4'-P-C4' energy: -49.652
flat angles P-C4'-P energy: -41.482
tors. eta vs tors. theta energy: -64.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -766.450087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.450087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.450087 (E_RNA)
where:
Base-Base interactions energy: -524.779
where: short stacking energy: -212.463
Base-Backbone interact. energy: -2.000
local terms energy: -239.671440
where:
bonds (distance) C4'-P energy: -43.990
bonds (distance) P-C4' energy: -48.958
flat angles C4'-P-C4' energy: -50.362
flat angles P-C4'-P energy: -36.263
tors. eta vs tors. theta energy: -60.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -732.805190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.805190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.805190 (E_RNA)
where:
Base-Base interactions energy: -511.819
where: short stacking energy: -209.146
Base-Backbone interact. energy: 0.705
local terms energy: -221.691343
where:
bonds (distance) C4'-P energy: -39.640
bonds (distance) P-C4' energy: -45.944
flat angles C4'-P-C4' energy: -50.341
flat angles P-C4'-P energy: -26.608
tors. eta vs tors. theta energy: -59.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -711.593762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.593762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.593762 (E_RNA)
where:
Base-Base interactions energy: -483.839
where: short stacking energy: -200.940
Base-Backbone interact. energy: -0.136
local terms energy: -227.618733
where:
bonds (distance) C4'-P energy: -48.828
bonds (distance) P-C4' energy: -39.830
flat angles C4'-P-C4' energy: -55.379
flat angles P-C4'-P energy: -34.803
tors. eta vs tors. theta energy: -48.779
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: 9, replica: 9
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -537.817118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.817118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.817118 (E_RNA)
where:
Base-Base interactions energy: -344.912
where: short stacking energy: -157.497
Base-Backbone interact. energy: -1.561
local terms energy: -191.343398
where:
bonds (distance) C4'-P energy: -31.677
bonds (distance) P-C4' energy: -48.657
flat angles C4'-P-C4' energy: -47.125
flat angles P-C4'-P energy: -24.885
tors. eta vs tors. theta energy: -39.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -276.337987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.337987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.337987 (E_RNA)
where:
Base-Base interactions energy: -135.085
where: short stacking energy: -70.355
Base-Backbone interact. energy: 0.864
local terms energy: -142.117018
where:
bonds (distance) C4'-P energy: -38.848
bonds (distance) P-C4' energy: -51.618
flat angles C4'-P-C4' energy: -32.017
flat angles P-C4'-P energy: -27.311
tors. eta vs tors. theta energy: 7.676
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: 1, replica: 2
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -960.576393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.576393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.576393 (E_RNA)
where:
Base-Base interactions energy: -673.369
where: short stacking energy: -280.950
Base-Backbone interact. energy: -3.825
local terms energy: -283.383008
where:
bonds (distance) C4'-P energy: -49.849
bonds (distance) P-C4' energy: -56.948
flat angles C4'-P-C4' energy: -55.501
flat angles P-C4'-P energy: -40.173
tors. eta vs tors. theta energy: -80.912
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: 450
Temperature: 0.950000
Total energy: -926.683340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.683340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.683340 (E_RNA)
where:
Base-Base interactions energy: -643.040
where: short stacking energy: -266.911
Base-Backbone interact. energy: -1.354
local terms energy: -282.289203
where:
bonds (distance) C4'-P energy: -51.359
bonds (distance) P-C4' energy: -56.019
flat angles C4'-P-C4' energy: -54.039
flat angles P-C4'-P energy: -40.143
tors. eta vs tors. theta energy: -80.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -878.323514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.323514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.323514 (E_RNA)
where:
Base-Base interactions energy: -602.283
where: short stacking energy: -249.445
Base-Backbone interact. energy: -0.001
local terms energy: -276.039866
where:
bonds (distance) C4'-P energy: -50.712
bonds (distance) P-C4' energy: -51.034
flat angles C4'-P-C4' energy: -53.697
flat angles P-C4'-P energy: -41.812
tors. eta vs tors. theta energy: -78.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -827.360087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.360087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.360087 (E_RNA)
where:
Base-Base interactions energy: -554.968
where: short stacking energy: -246.413
Base-Backbone interact. energy: 1.360
local terms energy: -273.752206
where:
bonds (distance) C4'-P energy: -47.593
bonds (distance) P-C4' energy: -57.118
flat angles C4'-P-C4' energy: -57.122
flat angles P-C4'-P energy: -42.193
tors. eta vs tors. theta energy: -69.726
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: 4
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -844.171004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.171004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.171004 (E_RNA)
where:
Base-Base interactions energy: -593.231
where: short stacking energy: -258.566
Base-Backbone interact. energy: -0.526
local terms energy: -250.413218
where:
bonds (distance) C4'-P energy: -46.710
bonds (distance) P-C4' energy: -44.184
flat angles C4'-P-C4' energy: -51.347
flat angles P-C4'-P energy: -34.115
tors. eta vs tors. theta energy: -74.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -777.992320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.992320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.992320 (E_RNA)
where:
Base-Base interactions energy: -538.752
where: short stacking energy: -236.372
Base-Backbone interact. energy: 0.098
local terms energy: -239.338795
where:
bonds (distance) C4'-P energy: -49.317
bonds (distance) P-C4' energy: -42.001
flat angles C4'-P-C4' energy: -45.142
flat angles P-C4'-P energy: -39.420
tors. eta vs tors. theta energy: -63.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -761.195549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.195549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.195549 (E_RNA)
where:
Base-Base interactions energy: -517.673
where: short stacking energy: -204.113
Base-Backbone interact. energy: 0.603
local terms energy: -244.125517
where:
bonds (distance) C4'-P energy: -42.781
bonds (distance) P-C4' energy: -49.276
flat angles C4'-P-C4' energy: -54.114
flat angles P-C4'-P energy: -38.870
tors. eta vs tors. theta energy: -59.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -703.523440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.523440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.523440 (E_RNA)
where:
Base-Base interactions energy: -477.304
where: short stacking energy: -195.073
Base-Backbone interact. energy: 0.937
local terms energy: -227.157178
where:
bonds (distance) C4'-P energy: -40.706
bonds (distance) P-C4' energy: -54.690
flat angles C4'-P-C4' energy: -40.121
flat angles P-C4'-P energy: -32.897
tors. eta vs tors. theta energy: -58.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -590.563994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.563994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.563994 (E_RNA)
where:
Base-Base interactions energy: -385.683
where: short stacking energy: -171.527
Base-Backbone interact. energy: 0.688
local terms energy: -205.568663
where:
bonds (distance) C4'-P energy: -30.395
bonds (distance) P-C4' energy: -47.379
flat angles C4'-P-C4' energy: -51.197
flat angles P-C4'-P energy: -29.971
tors. eta vs tors. theta energy: -46.627
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: 6
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -238.280866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.280866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.280866 (E_RNA)
where:
Base-Base interactions energy: -79.564
where: short stacking energy: -75.339
Base-Backbone interact. energy: 0.326
local terms energy: -159.042858
where:
bonds (distance) C4'-P energy: -40.795
bonds (distance) P-C4' energy: -53.189
flat angles C4'-P-C4' energy: -27.155
flat angles P-C4'-P energy: -32.406
tors. eta vs tors. theta energy: -5.498
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: 2
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -967.580443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.580443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.580443 (E_RNA)
where:
Base-Base interactions energy: -685.051
where: short stacking energy: -276.882
Base-Backbone interact. energy: 1.048
local terms energy: -283.577706
where:
bonds (distance) C4'-P energy: -50.525
bonds (distance) P-C4' energy: -48.825
flat angles C4'-P-C4' energy: -62.789
flat angles P-C4'-P energy: -43.846
tors. eta vs tors. theta energy: -77.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -917.822805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.822805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.822805 (E_RNA)
where:
Base-Base interactions energy: -634.352
where: short stacking energy: -277.890
Base-Backbone interact. energy: -0.401
local terms energy: -283.069868
where:
bonds (distance) C4'-P energy: -48.018
bonds (distance) P-C4' energy: -55.853
flat angles C4'-P-C4' energy: -58.195
flat angles P-C4'-P energy: -43.003
tors. eta vs tors. theta energy: -78.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -864.741702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.741702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.741702 (E_RNA)
where:
Base-Base interactions energy: -594.869
where: short stacking energy: -249.828
Base-Backbone interact. energy: -0.288
local terms energy: -269.584606
where:
bonds (distance) C4'-P energy: -55.354
bonds (distance) P-C4' energy: -42.046
flat angles C4'-P-C4' energy: -56.686
flat angles P-C4'-P energy: -43.725
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: 4
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -819.989567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.989567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.989567 (E_RNA)
where:
Base-Base interactions energy: -560.515
where: short stacking energy: -235.437
Base-Backbone interact. energy: 0.848
local terms energy: -260.322157
where:
bonds (distance) C4'-P energy: -47.691
bonds (distance) P-C4' energy: -53.503
flat angles C4'-P-C4' energy: -55.464
flat angles P-C4'-P energy: -37.503
tors. eta vs tors. theta energy: -66.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -784.490463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.490463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.490463 (E_RNA)
where:
Base-Base interactions energy: -539.112
where: short stacking energy: -219.939
Base-Backbone interact. energy: -2.616
local terms energy: -242.762462
where:
bonds (distance) C4'-P energy: -43.059
bonds (distance) P-C4' energy: -49.048
flat angles C4'-P-C4' energy: -51.490
flat angles P-C4'-P energy: -36.680
tors. eta vs tors. theta energy: -62.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -790.550453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.550453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.550453 (E_RNA)
where:
Base-Base interactions energy: -549.103
where: short stacking energy: -237.745
Base-Backbone interact. energy: 1.148
local terms energy: -242.595614
where:
bonds (distance) C4'-P energy: -43.236
bonds (distance) P-C4' energy: -53.948
flat angles C4'-P-C4' energy: -49.050
flat angles P-C4'-P energy: -26.185
tors. eta vs tors. theta energy: -70.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -743.194841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.194841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.194841 (E_RNA)
where:
Base-Base interactions energy: -506.277
where: short stacking energy: -211.976
Base-Backbone interact. energy: -0.188
local terms energy: -236.729716
where:
bonds (distance) C4'-P energy: -52.676
bonds (distance) P-C4' energy: -43.032
flat angles C4'-P-C4' energy: -50.161
flat angles P-C4'-P energy: -33.608
tors. eta vs tors. theta energy: -57.253
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: 8, replica: 3
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -711.335340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.335340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.335340 (E_RNA)
where:
Base-Base interactions energy: -486.906
where: short stacking energy: -195.284
Base-Backbone interact. energy: 3.706
local terms energy: -228.135392
where:
bonds (distance) C4'-P energy: -49.324
bonds (distance) P-C4' energy: -47.369
flat angles C4'-P-C4' energy: -41.671
flat angles P-C4'-P energy: -35.657
tors. eta vs tors. theta energy: -54.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -579.648678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.648678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.648678 (E_RNA)
where:
Base-Base interactions energy: -391.198
where: short stacking energy: -173.446
Base-Backbone interact. energy: -0.888
local terms energy: -187.563164
where:
bonds (distance) C4'-P energy: -30.402
bonds (distance) P-C4' energy: -39.953
flat angles C4'-P-C4' energy: -46.159
flat angles P-C4'-P energy: -36.974
tors. eta vs tors. theta energy: -34.075
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: 6
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -234.410254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.410254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.410254 (E_RNA)
where:
Base-Base interactions energy: -101.997
where: short stacking energy: -78.346
Base-Backbone interact. energy: 1.349
local terms energy: -133.762227
where:
bonds (distance) C4'-P energy: -34.143
bonds (distance) P-C4' energy: -48.514
flat angles C4'-P-C4' energy: -29.180
flat angles P-C4'-P energy: -25.787
tors. eta vs tors. theta energy: 3.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -947.289099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.289099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.289099 (E_RNA)
where:
Base-Base interactions energy: -657.138
where: short stacking energy: -280.760
Base-Backbone interact. energy: -0.921
local terms energy: -289.229944
where:
bonds (distance) C4'-P energy: -48.446
bonds (distance) P-C4' energy: -62.105
flat angles C4'-P-C4' energy: -60.091
flat angles P-C4'-P energy: -36.931
tors. eta vs tors. theta energy: -81.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -919.776300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.776300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.776300 (E_RNA)
where:
Base-Base interactions energy: -645.014
where: short stacking energy: -272.035
Base-Backbone interact. energy: -0.934
local terms energy: -273.828105
where:
bonds (distance) C4'-P energy: -49.577
bonds (distance) P-C4' energy: -44.329
flat angles C4'-P-C4' energy: -62.353
flat angles P-C4'-P energy: -42.048
tors. eta vs tors. theta energy: -75.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -858.420303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.420303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.420303 (E_RNA)
where:
Base-Base interactions energy: -570.294
where: short stacking energy: -228.680
Base-Backbone interact. energy: -1.613
local terms energy: -286.513738
where:
bonds (distance) C4'-P energy: -55.686
bonds (distance) P-C4' energy: -48.750
flat angles C4'-P-C4' energy: -59.846
flat angles P-C4'-P energy: -45.234
tors. eta vs tors. theta energy: -76.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -844.278701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.278701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.278701 (E_RNA)
where:
Base-Base interactions energy: -574.169
where: short stacking energy: -247.902
Base-Backbone interact. energy: -1.787
local terms energy: -268.323279
where:
bonds (distance) C4'-P energy: -52.143
bonds (distance) P-C4' energy: -43.869
flat angles C4'-P-C4' energy: -58.324
flat angles P-C4'-P energy: -39.831
tors. eta vs tors. theta energy: -74.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -826.053826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.053826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.053826 (E_RNA)
where:
Base-Base interactions energy: -558.710
where: short stacking energy: -237.476
Base-Backbone interact. energy: -0.775
local terms energy: -266.569226
where:
bonds (distance) C4'-P energy: -42.770
bonds (distance) P-C4' energy: -49.040
flat angles C4'-P-C4' energy: -62.254
flat angles P-C4'-P energy: -36.430
tors. eta vs tors. theta energy: -76.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -777.515551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.515551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.515551 (E_RNA)
where:
Base-Base interactions energy: -523.769
where: short stacking energy: -218.166
Base-Backbone interact. energy: -0.866
local terms energy: -252.879792
where:
bonds (distance) C4'-P energy: -44.176
bonds (distance) P-C4' energy: -56.557
flat angles C4'-P-C4' energy: -53.894
flat angles P-C4'-P energy: -34.311
tors. eta vs tors. theta energy: -63.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -758.357061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.357061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.357061 (E_RNA)
where:
Base-Base interactions energy: -522.853
where: short stacking energy: -202.179
Base-Backbone interact. energy: -1.312
local terms energy: -234.191638
where:
bonds (distance) C4'-P energy: -44.519
bonds (distance) P-C4' energy: -49.215
flat angles C4'-P-C4' energy: -46.302
flat angles P-C4'-P energy: -37.573
tors. eta vs tors. theta energy: -56.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -670.462612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.462612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.462612 (E_RNA)
where:
Base-Base interactions energy: -459.528
where: short stacking energy: -170.419
Base-Backbone interact. energy: 1.910
local terms energy: -212.844145
where:
bonds (distance) C4'-P energy: -45.814
bonds (distance) P-C4' energy: -40.727
flat angles C4'-P-C4' energy: -47.437
flat angles P-C4'-P energy: -30.424
tors. eta vs tors. theta energy: -48.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -528.982303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.982303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.982303 (E_RNA)
where:
Base-Base interactions energy: -321.958
where: short stacking energy: -146.281
Base-Backbone interact. energy: -0.287
local terms energy: -206.737048
where:
bonds (distance) C4'-P energy: -52.370
bonds (distance) P-C4' energy: -43.446
flat angles C4'-P-C4' energy: -48.649
flat angles P-C4'-P energy: -31.154
tors. eta vs tors. theta energy: -31.118
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: 6
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -207.022934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.022934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.022934 (E_RNA)
where:
Base-Base interactions energy: -63.580
where: short stacking energy: -55.255
Base-Backbone interact. energy: -0.429
local terms energy: -143.013248
where:
bonds (distance) C4'-P energy: -54.681
bonds (distance) P-C4' energy: -48.916
flat angles C4'-P-C4' energy: -40.195
flat angles P-C4'-P energy: -3.694
tors. eta vs tors. theta energy: 4.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -936.695565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.695565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.695565 (E_RNA)
where:
Base-Base interactions energy: -649.404
where: short stacking energy: -282.013
Base-Backbone interact. energy: -1.450
local terms energy: -285.841663
where:
bonds (distance) C4'-P energy: -46.407
bonds (distance) P-C4' energy: -54.535
flat angles C4'-P-C4' energy: -55.154
flat angles P-C4'-P energy: -44.599
tors. eta vs tors. theta energy: -85.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -882.294349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.294349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.294349 (E_RNA)
where:
Base-Base interactions energy: -602.569
where: short stacking energy: -251.368
Base-Backbone interact. energy: -0.723
local terms energy: -279.002093
where:
bonds (distance) C4'-P energy: -52.125
bonds (distance) P-C4' energy: -52.704
flat angles C4'-P-C4' energy: -51.685
flat angles P-C4'-P energy: -47.250
tors. eta vs tors. theta energy: -75.239
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: 1
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -901.598437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.598437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.598437 (E_RNA)
where:
Base-Base interactions energy: -636.388
where: short stacking energy: -281.511
Base-Backbone interact. energy: -0.322
local terms energy: -264.888124
where:
bonds (distance) C4'-P energy: -38.106
bonds (distance) P-C4' energy: -52.253
flat angles C4'-P-C4' energy: -52.301
flat angles P-C4'-P energy: -40.508
tors. eta vs tors. theta energy: -81.721
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: 10
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -839.869220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.869220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.869220 (E_RNA)
where:
Base-Base interactions energy: -572.102
where: short stacking energy: -244.952
Base-Backbone interact. energy: -0.814
local terms energy: -266.953680
where:
bonds (distance) C4'-P energy: -39.439
bonds (distance) P-C4' energy: -52.565
flat angles C4'-P-C4' energy: -57.095
flat angles P-C4'-P energy: -42.073
tors. eta vs tors. theta energy: -75.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -825.316803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.316803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.316803 (E_RNA)
where:
Base-Base interactions energy: -561.858
where: short stacking energy: -247.279
Base-Backbone interact. energy: -0.321
local terms energy: -263.137745
where:
bonds (distance) C4'-P energy: -52.551
bonds (distance) P-C4' energy: -38.580
flat angles C4'-P-C4' energy: -57.581
flat angles P-C4'-P energy: -36.749
tors. eta vs tors. theta energy: -77.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -772.448276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.448276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.448276 (E_RNA)
where:
Base-Base interactions energy: -544.940
where: short stacking energy: -229.492
Base-Backbone interact. energy: -0.564
local terms energy: -226.943654
where:
bonds (distance) C4'-P energy: -41.897
bonds (distance) P-C4' energy: -44.271
flat angles C4'-P-C4' energy: -48.520
flat angles P-C4'-P energy: -31.954
tors. eta vs tors. theta energy: -60.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -762.779639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.779639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.779639 (E_RNA)
where:
Base-Base interactions energy: -533.209
where: short stacking energy: -229.447
Base-Backbone interact. energy: -0.574
local terms energy: -228.996878
where:
bonds (distance) C4'-P energy: -41.315
bonds (distance) P-C4' energy: -39.128
flat angles C4'-P-C4' energy: -53.307
flat angles P-C4'-P energy: -29.531
tors. eta vs tors. theta energy: -65.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -718.073386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.073386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.073386 (E_RNA)
where:
Base-Base interactions energy: -509.749
where: short stacking energy: -209.537
Base-Backbone interact. energy: -1.147
local terms energy: -207.177445
where:
bonds (distance) C4'-P energy: -44.717
bonds (distance) P-C4' energy: -34.680
flat angles C4'-P-C4' energy: -45.380
flat angles P-C4'-P energy: -31.828
tors. eta vs tors. theta energy: -50.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -533.532252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.532252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.532252 (E_RNA)
where:
Base-Base interactions energy: -350.223
where: short stacking energy: -155.261
Base-Backbone interact. energy: -0.839
local terms energy: -182.470331
where:
bonds (distance) C4'-P energy: -37.969
bonds (distance) P-C4' energy: -44.394
flat angles C4'-P-C4' energy: -47.474
flat angles P-C4'-P energy: -24.496
tors. eta vs tors. theta energy: -28.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -229.841899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.841899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.841899 (E_RNA)
where:
Base-Base interactions energy: -77.861
where: short stacking energy: -62.955
Base-Backbone interact. energy: -0.963
local terms energy: -151.018605
where:
bonds (distance) C4'-P energy: -51.945
bonds (distance) P-C4' energy: -47.363
flat angles C4'-P-C4' energy: -38.939
flat angles P-C4'-P energy: -12.928
tors. eta vs tors. theta energy: 0.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -950.996250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.996250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.996250 (E_RNA)
where:
Base-Base interactions energy: -647.199
where: short stacking energy: -290.839
Base-Backbone interact. energy: -1.425
local terms energy: -302.372255
where:
bonds (distance) C4'-P energy: -47.301
bonds (distance) P-C4' energy: -64.482
flat angles C4'-P-C4' energy: -63.470
flat angles P-C4'-P energy: -46.004
tors. eta vs tors. theta energy: -81.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -878.705833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.705833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.705833 (E_RNA)
where:
Base-Base interactions energy: -610.507
where: short stacking energy: -250.294
Base-Backbone interact. energy: -1.384
local terms energy: -266.814642
where:
bonds (distance) C4'-P energy: -52.466
bonds (distance) P-C4' energy: -47.328
flat angles C4'-P-C4' energy: -48.577
flat angles P-C4'-P energy: -43.940
tors. eta vs tors. theta energy: -74.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -893.693506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.693506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.693506 (E_RNA)
where:
Base-Base interactions energy: -597.230
where: short stacking energy: -269.717
Base-Backbone interact. energy: -0.676
local terms energy: -295.788250
where:
bonds (distance) C4'-P energy: -50.151
bonds (distance) P-C4' energy: -51.204
flat angles C4'-P-C4' energy: -65.161
flat angles P-C4'-P energy: -45.683
tors. eta vs tors. theta energy: -83.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -843.235734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.235734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.235734 (E_RNA)
where:
Base-Base interactions energy: -582.833
where: short stacking energy: -245.777
Base-Backbone interact. energy: -0.988
local terms energy: -259.414672
where:
bonds (distance) C4'-P energy: -53.376
bonds (distance) P-C4' energy: -48.036
flat angles C4'-P-C4' energy: -48.161
flat angles P-C4'-P energy: -40.229
tors. eta vs tors. theta energy: -69.612
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: 5, replica: 7
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -832.417819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.417819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.417819 (E_RNA)
where:
Base-Base interactions energy: -568.881
where: short stacking energy: -252.830
Base-Backbone interact. energy: -0.448
local terms energy: -263.089021
where:
bonds (distance) C4'-P energy: -58.548
bonds (distance) P-C4' energy: -43.994
flat angles C4'-P-C4' energy: -54.913
flat angles P-C4'-P energy: -33.832
tors. eta vs tors. theta energy: -71.801
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: 5
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -770.663374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.663374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.663374 (E_RNA)
where:
Base-Base interactions energy: -537.406
where: short stacking energy: -229.010
Base-Backbone interact. energy: 0.219
local terms energy: -233.476315
where:
bonds (distance) C4'-P energy: -49.710
bonds (distance) P-C4' energy: -40.412
flat angles C4'-P-C4' energy: -55.016
flat angles P-C4'-P energy: -16.888
tors. eta vs tors. theta energy: -71.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -733.979904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.979904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.979904 (E_RNA)
where:
Base-Base interactions energy: -521.252
where: short stacking energy: -216.033
Base-Backbone interact. energy: -0.819
local terms energy: -211.908512
where:
bonds (distance) C4'-P energy: -38.701
bonds (distance) P-C4' energy: -45.443
flat angles C4'-P-C4' energy: -52.317
flat angles P-C4'-P energy: -21.184
tors. eta vs tors. theta energy: -54.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -642.847260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.847260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.847260 (E_RNA)
where:
Base-Base interactions energy: -448.728
where: short stacking energy: -166.909
Base-Backbone interact. energy: -1.183
local terms energy: -192.935941
where:
bonds (distance) C4'-P energy: -38.920
bonds (distance) P-C4' energy: -35.626
flat angles C4'-P-C4' energy: -44.384
flat angles P-C4'-P energy: -32.293
tors. eta vs tors. theta energy: -41.713
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: 9
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -561.799679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.799679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.799679 (E_RNA)
where:
Base-Base interactions energy: -364.736
where: short stacking energy: -153.874
Base-Backbone interact. energy: -0.749
local terms energy: -196.314806
where:
bonds (distance) C4'-P energy: -45.289
bonds (distance) P-C4' energy: -43.561
flat angles C4'-P-C4' energy: -45.206
flat angles P-C4'-P energy: -25.006
tors. eta vs tors. theta energy: -37.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -227.990047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.990047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.990047 (E_RNA)
where:
Base-Base interactions energy: -86.506
where: short stacking energy: -66.893
Base-Backbone interact. energy: -0.979
local terms energy: -140.505143
where:
bonds (distance) C4'-P energy: -40.862
bonds (distance) P-C4' energy: -38.376
flat angles C4'-P-C4' energy: -34.198
flat angles P-C4'-P energy: -23.490
tors. eta vs tors. theta energy: -3.579
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: 2
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -954.633053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.633053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.633053 (E_RNA)
where:
Base-Base interactions energy: -648.516
where: short stacking energy: -282.130
Base-Backbone interact. energy: -0.530
local terms energy: -305.587478
where:
bonds (distance) C4'-P energy: -56.558
bonds (distance) P-C4' energy: -49.740
flat angles C4'-P-C4' energy: -63.974
flat angles P-C4'-P energy: -47.070
tors. eta vs tors. theta energy: -88.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -942.080435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.080435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.080435 (E_RNA)
where:
Base-Base interactions energy: -646.534
where: short stacking energy: -278.318
Base-Backbone interact. energy: -1.219
local terms energy: -294.327232
where:
bonds (distance) C4'-P energy: -55.786
bonds (distance) P-C4' energy: -51.505
flat angles C4'-P-C4' energy: -57.135
flat angles P-C4'-P energy: -42.862
tors. eta vs tors. theta energy: -87.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -852.916957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.916957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.916957 (E_RNA)
where:
Base-Base interactions energy: -595.051
where: short stacking energy: -252.129
Base-Backbone interact. energy: -1.011
local terms energy: -256.855198
where:
bonds (distance) C4'-P energy: -38.681
bonds (distance) P-C4' energy: -48.139
flat angles C4'-P-C4' energy: -55.583
flat angles P-C4'-P energy: -41.984
tors. eta vs tors. theta energy: -72.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -830.505767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.505767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.505767 (E_RNA)
where:
Base-Base interactions energy: -573.737
where: short stacking energy: -247.900
Base-Backbone interact. energy: -0.993
local terms energy: -255.775881
where:
bonds (distance) C4'-P energy: -44.027
bonds (distance) P-C4' energy: -51.863
flat angles C4'-P-C4' energy: -54.103
flat angles P-C4'-P energy: -33.249
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: 5, replica: 7
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -829.194623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.194623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.194623 (E_RNA)
where:
Base-Base interactions energy: -563.106
where: short stacking energy: -254.582
Base-Backbone interact. energy: 0.913
local terms energy: -267.001055
where:
bonds (distance) C4'-P energy: -50.453
bonds (distance) P-C4' energy: -45.910
flat angles C4'-P-C4' energy: -53.501
flat angles P-C4'-P energy: -44.406
tors. eta vs tors. theta energy: -72.731
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: 5
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -771.060986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.060986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.060986 (E_RNA)
where:
Base-Base interactions energy: -532.025
where: short stacking energy: -222.756
Base-Backbone interact. energy: -1.639
local terms energy: -237.396930
where:
bonds (distance) C4'-P energy: -32.456
bonds (distance) P-C4' energy: -46.560
flat angles C4'-P-C4' energy: -53.693
flat angles P-C4'-P energy: -35.578
tors. eta vs tors. theta energy: -69.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -781.505421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.505421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.505421 (E_RNA)
where:
Base-Base interactions energy: -537.856
where: short stacking energy: -225.130
Base-Backbone interact. energy: 2.493
local terms energy: -246.143050
where:
bonds (distance) C4'-P energy: -49.614
bonds (distance) P-C4' energy: -45.690
flat angles C4'-P-C4' energy: -57.584
flat angles P-C4'-P energy: -32.377
tors. eta vs tors. theta energy: -60.878
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: 3
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -677.576813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.576813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.576813 (E_RNA)
where:
Base-Base interactions energy: -466.577
where: short stacking energy: -190.949
Base-Backbone interact. energy: -0.630
local terms energy: -210.369827
where:
bonds (distance) C4'-P energy: -39.041
bonds (distance) P-C4' energy: -48.977
flat angles C4'-P-C4' energy: -48.159
flat angles P-C4'-P energy: -38.507
tors. eta vs tors. theta energy: -35.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -603.131997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.131997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.131997 (E_RNA)
where:
Base-Base interactions energy: -372.652
where: short stacking energy: -150.904
Base-Backbone interact. energy: -0.461
local terms energy: -230.019817
where:
bonds (distance) C4'-P energy: -45.420
bonds (distance) P-C4' energy: -50.364
flat angles C4'-P-C4' energy: -56.707
flat angles P-C4'-P energy: -35.778
tors. eta vs tors. theta energy: -41.751
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: 6
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -219.077075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.077075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.077075 (E_RNA)
where:
Base-Base interactions energy: -84.428
where: short stacking energy: -67.018
Base-Backbone interact. energy: 2.026
local terms energy: -136.675175
where:
bonds (distance) C4'-P energy: -43.079
bonds (distance) P-C4' energy: -41.116
flat angles C4'-P-C4' energy: -41.301
flat angles P-C4'-P energy: -18.065
tors. eta vs tors. theta energy: 6.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -942.503919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.503919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.503919 (E_RNA)
where:
Base-Base interactions energy: -650.844
where: short stacking energy: -282.426
Base-Backbone interact. energy: -1.331
local terms energy: -290.329127
where:
bonds (distance) C4'-P energy: -54.154
bonds (distance) P-C4' energy: -55.912
flat angles C4'-P-C4' energy: -55.837
flat angles P-C4'-P energy: -42.358
tors. eta vs tors. theta energy: -82.067
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: 2
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -942.086827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.086827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.086827 (E_RNA)
where:
Base-Base interactions energy: -645.986
where: short stacking energy: -279.916
Base-Backbone interact. energy: -1.409
local terms energy: -294.691915
where:
bonds (distance) C4'-P energy: -48.597
bonds (distance) P-C4' energy: -52.366
flat angles C4'-P-C4' energy: -58.765
flat angles P-C4'-P energy: -46.990
tors. eta vs tors. theta energy: -87.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -879.222956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.222956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.222956 (E_RNA)
where:
Base-Base interactions energy: -596.606
where: short stacking energy: -253.668
Base-Backbone interact. energy: -1.805
local terms energy: -280.811819
where:
bonds (distance) C4'-P energy: -48.862
bonds (distance) P-C4' energy: -44.176
flat angles C4'-P-C4' energy: -62.916
flat angles P-C4'-P energy: -44.233
tors. eta vs tors. theta energy: -80.625
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: 4, replica: 10
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -820.897180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.897180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.897180 (E_RNA)
where:
Base-Base interactions energy: -564.037
where: short stacking energy: -244.273
Base-Backbone interact. energy: 1.392
local terms energy: -258.251496
where:
bonds (distance) C4'-P energy: -39.460
bonds (distance) P-C4' energy: -53.227
flat angles C4'-P-C4' energy: -54.952
flat angles P-C4'-P energy: -43.682
tors. eta vs tors. theta energy: -66.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -808.924438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.924438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.924438 (E_RNA)
where:
Base-Base interactions energy: -556.016
where: short stacking energy: -247.982
Base-Backbone interact. energy: 0.529
local terms energy: -253.437714
where:
bonds (distance) C4'-P energy: -39.522
bonds (distance) P-C4' energy: -55.440
flat angles C4'-P-C4' energy: -51.889
flat angles P-C4'-P energy: -34.015
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: 6, replica: 5
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -765.317781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.317781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.317781 (E_RNA)
where:
Base-Base interactions energy: -517.933
where: short stacking energy: -222.126
Base-Backbone interact. energy: -0.861
local terms energy: -246.523363
where:
bonds (distance) C4'-P energy: -49.053
bonds (distance) P-C4' energy: -52.931
flat angles C4'-P-C4' energy: -44.733
flat angles P-C4'-P energy: -39.896
tors. eta vs tors. theta energy: -59.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -790.499275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.499275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.499275 (E_RNA)
where:
Base-Base interactions energy: -541.176
where: short stacking energy: -230.143
Base-Backbone interact. energy: 2.313
local terms energy: -251.636455
where:
bonds (distance) C4'-P energy: -44.923
bonds (distance) P-C4' energy: -51.892
flat angles C4'-P-C4' energy: -60.495
flat angles P-C4'-P energy: -32.800
tors. eta vs tors. theta energy: -61.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -701.284781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.284781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.284781 (E_RNA)
where:
Base-Base interactions energy: -480.287
where: short stacking energy: -202.728
Base-Backbone interact. energy: -0.263
local terms energy: -220.734937
where:
bonds (distance) C4'-P energy: -44.250
bonds (distance) P-C4' energy: -37.153
flat angles C4'-P-C4' energy: -56.515
flat angles P-C4'-P energy: -30.789
tors. eta vs tors. theta energy: -52.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -620.886509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.886509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.886509 (E_RNA)
where:
Base-Base interactions energy: -409.553
where: short stacking energy: -177.028
Base-Backbone interact. energy: 0.290
local terms energy: -211.623352
where:
bonds (distance) C4'-P energy: -52.292
bonds (distance) P-C4' energy: -37.017
flat angles C4'-P-C4' energy: -53.302
flat angles P-C4'-P energy: -30.478
tors. eta vs tors. theta energy: -38.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -215.799150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.799150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.799150 (E_RNA)
where:
Base-Base interactions energy: -68.279
where: short stacking energy: -55.713
Base-Backbone interact. energy: -1.012
local terms energy: -146.507856
where:
bonds (distance) C4'-P energy: -49.168
bonds (distance) P-C4' energy: -50.849
flat angles C4'-P-C4' energy: -26.298
flat angles P-C4'-P energy: -28.324
tors. eta vs tors. theta energy: 8.131
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: 1, replica: 1
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -966.628828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.628828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.628828 (E_RNA)
where:
Base-Base interactions energy: -671.846
where: short stacking energy: -295.997
Base-Backbone interact. energy: -0.968
local terms energy: -293.814898
where:
bonds (distance) C4'-P energy: -49.353
bonds (distance) P-C4' energy: -54.148
flat angles C4'-P-C4' energy: -59.872
flat angles P-C4'-P energy: -41.211
tors. eta vs tors. theta energy: -89.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -887.408292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.408292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.408292 (E_RNA)
where:
Base-Base interactions energy: -603.364
where: short stacking energy: -256.209
Base-Backbone interact. energy: 0.710
local terms energy: -284.754880
where:
bonds (distance) C4'-P energy: -51.383
bonds (distance) P-C4' energy: -56.392
flat angles C4'-P-C4' energy: -60.434
flat angles P-C4'-P energy: -43.686
tors. eta vs tors. theta energy: -72.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -922.559932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.559932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.559932 (E_RNA)
where:
Base-Base interactions energy: -635.857
where: short stacking energy: -268.177
Base-Backbone interact. energy: -2.242
local terms energy: -284.461451
where:
bonds (distance) C4'-P energy: -54.949
bonds (distance) P-C4' energy: -46.872
flat angles C4'-P-C4' energy: -60.634
flat angles P-C4'-P energy: -41.400
tors. eta vs tors. theta energy: -80.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -842.828279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.828279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.828279 (E_RNA)
where:
Base-Base interactions energy: -580.459
where: short stacking energy: -251.776
Base-Backbone interact. energy: 0.547
local terms energy: -262.916075
where:
bonds (distance) C4'-P energy: -50.770
bonds (distance) P-C4' energy: -47.589
flat angles C4'-P-C4' energy: -49.989
flat angles P-C4'-P energy: -44.819
tors. eta vs tors. theta energy: -69.749
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: 7
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -809.507448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.507448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.507448 (E_RNA)
where:
Base-Base interactions energy: -546.365
where: short stacking energy: -230.031
Base-Backbone interact. energy: -0.472
local terms energy: -262.670342
where:
bonds (distance) C4'-P energy: -48.157
bonds (distance) P-C4' energy: -55.181
flat angles C4'-P-C4' energy: -57.809
flat angles P-C4'-P energy: -29.637
tors. eta vs tors. theta energy: -71.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -788.915505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.915505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.915505 (E_RNA)
where:
Base-Base interactions energy: -533.528
where: short stacking energy: -230.288
Base-Backbone interact. energy: -0.726
local terms energy: -254.661794
where:
bonds (distance) C4'-P energy: -45.299
bonds (distance) P-C4' energy: -54.465
flat angles C4'-P-C4' energy: -52.084
flat angles P-C4'-P energy: -37.750
tors. eta vs tors. theta energy: -65.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -754.777217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.777217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.777217 (E_RNA)
where:
Base-Base interactions energy: -520.108
where: short stacking energy: -223.752
Base-Backbone interact. energy: 4.069
local terms energy: -238.737689
where:
bonds (distance) C4'-P energy: -41.994
bonds (distance) P-C4' energy: -45.678
flat angles C4'-P-C4' energy: -53.623
flat angles P-C4'-P energy: -36.622
tors. eta vs tors. theta energy: -60.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -682.530506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.530506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.530506 (E_RNA)
where:
Base-Base interactions energy: -478.491
where: short stacking energy: -191.689
Base-Backbone interact. energy: -0.788
local terms energy: -203.251592
where:
bonds (distance) C4'-P energy: -38.666
bonds (distance) P-C4' energy: -49.878
flat angles C4'-P-C4' energy: -45.623
flat angles P-C4'-P energy: -20.863
tors. eta vs tors. theta energy: -48.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -643.252215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.252215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.252215 (E_RNA)
where:
Base-Base interactions energy: -426.300
where: short stacking energy: -200.239
Base-Backbone interact. energy: -0.572
local terms energy: -216.380699
where:
bonds (distance) C4'-P energy: -37.513
bonds (distance) P-C4' energy: -48.299
flat angles C4'-P-C4' energy: -40.885
flat angles P-C4'-P energy: -29.914
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: 10, replica: 6
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -213.648476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.648476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.648476 (E_RNA)
where:
Base-Base interactions energy: -65.726
where: short stacking energy: -57.316
Base-Backbone interact. energy: 0.500
local terms energy: -148.422148
where:
bonds (distance) C4'-P energy: -42.459
bonds (distance) P-C4' energy: -49.183
flat angles C4'-P-C4' energy: -36.042
flat angles P-C4'-P energy: -23.466
tors. eta vs tors. theta energy: 2.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -970.399742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.399742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.399742 (E_RNA)
where:
Base-Base interactions energy: -667.623
where: short stacking energy: -298.675
Base-Backbone interact. energy: -1.951
local terms energy: -300.826460
where:
bonds (distance) C4'-P energy: -49.139
bonds (distance) P-C4' energy: -53.389
flat angles C4'-P-C4' energy: -62.531
flat angles P-C4'-P energy: -45.503
tors. eta vs tors. theta energy: -90.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -876.267645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.267645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.267645 (E_RNA)
where:
Base-Base interactions energy: -597.571
where: short stacking energy: -262.977
Base-Backbone interact. energy: -0.859
local terms energy: -277.837616
where:
bonds (distance) C4'-P energy: -51.224
bonds (distance) P-C4' energy: -47.295
flat angles C4'-P-C4' energy: -58.724
flat angles P-C4'-P energy: -42.075
tors. eta vs tors. theta energy: -78.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -921.238339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.238339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.238339 (E_RNA)
where:
Base-Base interactions energy: -633.285
where: short stacking energy: -263.357
Base-Backbone interact. energy: -2.490
local terms energy: -285.464063
where:
bonds (distance) C4'-P energy: -48.603
bonds (distance) P-C4' energy: -56.446
flat angles C4'-P-C4' energy: -52.102
flat angles P-C4'-P energy: -49.466
tors. eta vs tors. theta energy: -78.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -844.744838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.744838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.744838 (E_RNA)
where:
Base-Base interactions energy: -592.372
where: short stacking energy: -257.458
Base-Backbone interact. energy: 0.101
local terms energy: -252.473686
where:
bonds (distance) C4'-P energy: -37.698
bonds (distance) P-C4' energy: -45.039
flat angles C4'-P-C4' energy: -64.209
flat angles P-C4'-P energy: -34.103
tors. eta vs tors. theta energy: -71.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -794.339767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.339767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.339767 (E_RNA)
where:
Base-Base interactions energy: -535.911
where: short stacking energy: -237.339
Base-Backbone interact. energy: 0.188
local terms energy: -258.616198
where:
bonds (distance) C4'-P energy: -51.377
bonds (distance) P-C4' energy: -44.640
flat angles C4'-P-C4' energy: -50.560
flat angles P-C4'-P energy: -44.902
tors. eta vs tors. theta energy: -67.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -787.455483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.455483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.455483 (E_RNA)
where:
Base-Base interactions energy: -545.011
where: short stacking energy: -227.994
Base-Backbone interact. energy: -0.197
local terms energy: -242.248070
where:
bonds (distance) C4'-P energy: -41.618
bonds (distance) P-C4' energy: -46.854
flat angles C4'-P-C4' energy: -53.600
flat angles P-C4'-P energy: -36.911
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: 8
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -746.310812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.310812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.310812 (E_RNA)
where:
Base-Base interactions energy: -526.614
where: short stacking energy: -207.082
Base-Backbone interact. energy: -0.382
local terms energy: -219.314966
where:
bonds (distance) C4'-P energy: -39.766
bonds (distance) P-C4' energy: -40.282
flat angles C4'-P-C4' energy: -46.927
flat angles P-C4'-P energy: -33.147
tors. eta vs tors. theta energy: -59.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -674.140293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.140293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.140293 (E_RNA)
where:
Base-Base interactions energy: -457.302
where: short stacking energy: -188.762
Base-Backbone interact. energy: -0.199
local terms energy: -216.638798
where:
bonds (distance) C4'-P energy: -44.549
bonds (distance) P-C4' energy: -55.096
flat angles C4'-P-C4' energy: -52.112
flat angles P-C4'-P energy: -22.975
tors. eta vs tors. theta energy: -41.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -560.849110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.849110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.849110 (E_RNA)
where:
Base-Base interactions energy: -357.377
where: short stacking energy: -172.106
Base-Backbone interact. energy: -0.315
local terms energy: -203.156911
where:
bonds (distance) C4'-P energy: -52.881
bonds (distance) P-C4' energy: -39.934
flat angles C4'-P-C4' energy: -43.106
flat angles P-C4'-P energy: -28.540
tors. eta vs tors. theta energy: -38.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -270.396277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.396277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.396277 (E_RNA)
where:
Base-Base interactions energy: -128.281
where: short stacking energy: -70.893
Base-Backbone interact. energy: 1.691
local terms energy: -143.806605
where:
bonds (distance) C4'-P energy: -36.951
bonds (distance) P-C4' energy: -48.145
flat angles C4'-P-C4' energy: -36.380
flat angles P-C4'-P energy: -25.271
tors. eta vs tors. theta energy: 2.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -971.841224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.841224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.841224 (E_RNA)
where:
Base-Base interactions energy: -678.566
where: short stacking energy: -301.837
Base-Backbone interact. energy: -0.473
local terms energy: -292.801983
where:
bonds (distance) C4'-P energy: -48.643
bonds (distance) P-C4' energy: -56.000
flat angles C4'-P-C4' energy: -59.225
flat angles P-C4'-P energy: -36.257
tors. eta vs tors. theta energy: -92.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -931.255245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.255245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.255245 (E_RNA)
where:
Base-Base interactions energy: -633.533
where: short stacking energy: -281.876
Base-Backbone interact. energy: -1.855
local terms energy: -295.867353
where:
bonds (distance) C4'-P energy: -55.714
bonds (distance) P-C4' energy: -52.747
flat angles C4'-P-C4' energy: -59.310
flat angles P-C4'-P energy: -43.685
tors. eta vs tors. theta energy: -84.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -857.669361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.669361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.669361 (E_RNA)
where:
Base-Base interactions energy: -599.069
where: short stacking energy: -264.723
Base-Backbone interact. energy: 2.977
local terms energy: -261.577945
where:
bonds (distance) C4'-P energy: -43.771
bonds (distance) P-C4' energy: -46.228
flat angles C4'-P-C4' energy: -55.299
flat angles P-C4'-P energy: -40.231
tors. eta vs tors. theta energy: -76.049
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: 10
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -820.488734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.488734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.488734 (E_RNA)
where:
Base-Base interactions energy: -563.063
where: short stacking energy: -247.649
Base-Backbone interact. energy: -0.102
local terms energy: -257.323536
where:
bonds (distance) C4'-P energy: -48.305
bonds (distance) P-C4' energy: -51.012
flat angles C4'-P-C4' energy: -52.726
flat angles P-C4'-P energy: -35.234
tors. eta vs tors. theta energy: -70.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -820.361569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.361569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.361569 (E_RNA)
where:
Base-Base interactions energy: -547.668
where: short stacking energy: -251.922
Base-Backbone interact. energy: -0.144
local terms energy: -272.549883
where:
bonds (distance) C4'-P energy: -49.189
bonds (distance) P-C4' energy: -52.657
flat angles C4'-P-C4' energy: -57.121
flat angles P-C4'-P energy: -34.452
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: 6, replica: 8
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -759.505695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.505695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.505695 (E_RNA)
where:
Base-Base interactions energy: -530.664
where: short stacking energy: -225.035
Base-Backbone interact. energy: -0.557
local terms energy: -228.285245
where:
bonds (distance) C4'-P energy: -53.953
bonds (distance) P-C4' energy: -34.767
flat angles C4'-P-C4' energy: -47.166
flat angles P-C4'-P energy: -31.042
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: 7, replica: 5
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -750.263024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.263024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.263024 (E_RNA)
where:
Base-Base interactions energy: -527.745
where: short stacking energy: -216.151
Base-Backbone interact. energy: -0.619
local terms energy: -221.898891
where:
bonds (distance) C4'-P energy: -35.100
bonds (distance) P-C4' energy: -46.632
flat angles C4'-P-C4' energy: -44.748
flat angles P-C4'-P energy: -39.314
tors. eta vs tors. theta energy: -56.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -687.921735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.921735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.921735 (E_RNA)
where:
Base-Base interactions energy: -470.482
where: short stacking energy: -189.384
Base-Backbone interact. energy: 0.057
local terms energy: -217.497010
where:
bonds (distance) C4'-P energy: -49.509
bonds (distance) P-C4' energy: -54.214
flat angles C4'-P-C4' energy: -43.737
flat angles P-C4'-P energy: -23.200
tors. eta vs tors. theta energy: -46.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -539.912926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.912926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.912926 (E_RNA)
where:
Base-Base interactions energy: -349.393
where: short stacking energy: -153.016
Base-Backbone interact. energy: -0.262
local terms energy: -190.258035
where:
bonds (distance) C4'-P energy: -39.002
bonds (distance) P-C4' energy: -48.711
flat angles C4'-P-C4' energy: -45.859
flat angles P-C4'-P energy: -26.409
tors. eta vs tors. theta energy: -30.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -275.732922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.732922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.732922 (E_RNA)
where:
Base-Base interactions energy: -143.852
where: short stacking energy: -76.150
Base-Backbone interact. energy: -0.679
local terms energy: -131.202442
where:
bonds (distance) C4'-P energy: -34.614
bonds (distance) P-C4' energy: -53.295
flat angles C4'-P-C4' energy: -36.331
flat angles P-C4'-P energy: -11.702
tors. eta vs tors. theta energy: 4.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -962.748028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.748028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.748028 (E_RNA)
where:
Base-Base interactions energy: -654.990
where: short stacking energy: -280.129
Base-Backbone interact. energy: -2.050
local terms energy: -305.707567
where:
bonds (distance) C4'-P energy: -54.884
bonds (distance) P-C4' energy: -59.997
flat angles C4'-P-C4' energy: -59.962
flat angles P-C4'-P energy: -39.081
tors. eta vs tors. theta energy: -91.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -930.119666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.119666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.119666 (E_RNA)
where:
Base-Base interactions energy: -645.382
where: short stacking energy: -268.044
Base-Backbone interact. energy: 0.720
local terms energy: -285.457825
where:
bonds (distance) C4'-P energy: -50.661
bonds (distance) P-C4' energy: -52.028
flat angles C4'-P-C4' energy: -57.071
flat angles P-C4'-P energy: -44.793
tors. eta vs tors. theta energy: -80.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -870.841790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.841790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.841790 (E_RNA)
where:
Base-Base interactions energy: -616.620
where: short stacking energy: -245.904
Base-Backbone interact. energy: -0.224
local terms energy: -253.996913
where:
bonds (distance) C4'-P energy: -54.174
bonds (distance) P-C4' energy: -44.295
flat angles C4'-P-C4' energy: -53.509
flat angles P-C4'-P energy: -33.061
tors. eta vs tors. theta energy: -68.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -840.677208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.677208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.677208 (E_RNA)
where:
Base-Base interactions energy: -566.736
where: short stacking energy: -244.464
Base-Backbone interact. energy: -0.119
local terms energy: -273.822121
where:
bonds (distance) C4'-P energy: -43.839
bonds (distance) P-C4' energy: -56.098
flat angles C4'-P-C4' energy: -60.422
flat angles P-C4'-P energy: -33.797
tors. eta vs tors. theta energy: -79.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -826.689926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.689926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.689926 (E_RNA)
where:
Base-Base interactions energy: -567.308
where: short stacking energy: -251.164
Base-Backbone interact. energy: -0.896
local terms energy: -258.485996
where:
bonds (distance) C4'-P energy: -45.583
bonds (distance) P-C4' energy: -49.840
flat angles C4'-P-C4' energy: -47.396
flat angles P-C4'-P energy: -42.880
tors. eta vs tors. theta energy: -72.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -771.215866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.215866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.215866 (E_RNA)
where:
Base-Base interactions energy: -540.111
where: short stacking energy: -221.421
Base-Backbone interact. energy: 1.718
local terms energy: -232.822977
where:
bonds (distance) C4'-P energy: -36.666
bonds (distance) P-C4' energy: -47.494
flat angles C4'-P-C4' energy: -52.050
flat angles P-C4'-P energy: -34.676
tors. eta vs tors. theta energy: -61.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -694.023454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.023454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.023454 (E_RNA)
where:
Base-Base interactions energy: -465.494
where: short stacking energy: -178.120
Base-Backbone interact. energy: -0.683
local terms energy: -227.846814
where:
bonds (distance) C4'-P energy: -45.563
bonds (distance) P-C4' energy: -48.914
flat angles C4'-P-C4' energy: -52.043
flat angles P-C4'-P energy: -36.513
tors. eta vs tors. theta energy: -44.815
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: 5
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -725.847657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.847657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.847657 (E_RNA)
where:
Base-Base interactions energy: -506.599
where: short stacking energy: -202.324
Base-Backbone interact. energy: -1.079
local terms energy: -218.169652
where:
bonds (distance) C4'-P energy: -50.124
bonds (distance) P-C4' energy: -40.171
flat angles C4'-P-C4' energy: -41.679
flat angles P-C4'-P energy: -29.459
tors. eta vs tors. theta energy: -56.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -527.694256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.694256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.694256 (E_RNA)
where:
Base-Base interactions energy: -337.602
where: short stacking energy: -139.926
Base-Backbone interact. energy: 0.498
local terms energy: -190.590212
where:
bonds (distance) C4'-P energy: -44.695
bonds (distance) P-C4' energy: -38.060
flat angles C4'-P-C4' energy: -49.138
flat angles P-C4'-P energy: -31.543
tors. eta vs tors. theta energy: -27.154
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: 6
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -214.560163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.560163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.560163 (E_RNA)
where:
Base-Base interactions energy: -76.497
where: short stacking energy: -64.679
Base-Backbone interact. energy: -0.709
local terms energy: -137.353333
where:
bonds (distance) C4'-P energy: -38.730
bonds (distance) P-C4' energy: -36.854
flat angles C4'-P-C4' energy: -35.121
flat angles P-C4'-P energy: -23.426
tors. eta vs tors. theta energy: -3.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -950.325421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.325421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.325421 (E_RNA)
where:
Base-Base interactions energy: -656.204
where: short stacking energy: -296.991
Base-Backbone interact. energy: -1.747
local terms energy: -292.374341
where:
bonds (distance) C4'-P energy: -51.337
bonds (distance) P-C4' energy: -57.212
flat angles C4'-P-C4' energy: -56.689
flat angles P-C4'-P energy: -38.165
tors. eta vs tors. theta energy: -88.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -928.632166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.632166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.632166 (E_RNA)
where:
Base-Base interactions energy: -641.999
where: short stacking energy: -270.861
Base-Backbone interact. energy: -2.024
local terms energy: -284.609604
where:
bonds (distance) C4'-P energy: -51.606
bonds (distance) P-C4' energy: -55.668
flat angles C4'-P-C4' energy: -58.260
flat angles P-C4'-P energy: -40.067
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: 4
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -850.816973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.816973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.816973 (E_RNA)
where:
Base-Base interactions energy: -583.842
where: short stacking energy: -236.560
Base-Backbone interact. energy: -0.546
local terms energy: -266.428685
where:
bonds (distance) C4'-P energy: -47.127
bonds (distance) P-C4' energy: -57.735
flat angles C4'-P-C4' energy: -55.275
flat angles P-C4'-P energy: -40.707
tors. eta vs tors. theta energy: -65.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -838.104437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.104437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.104437 (E_RNA)
where:
Base-Base interactions energy: -572.709
where: short stacking energy: -255.665
Base-Backbone interact. energy: 0.922
local terms energy: -266.317093
where:
bonds (distance) C4'-P energy: -48.717
bonds (distance) P-C4' energy: -51.194
flat angles C4'-P-C4' energy: -52.466
flat angles P-C4'-P energy: -38.477
tors. eta vs tors. theta energy: -75.463
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: 5, replica: 10
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -813.355725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.355725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.355725 (E_RNA)
where:
Base-Base interactions energy: -568.274
where: short stacking energy: -235.655
Base-Backbone interact. energy: 0.666
local terms energy: -245.748277
where:
bonds (distance) C4'-P energy: -42.835
bonds (distance) P-C4' energy: -44.409
flat angles C4'-P-C4' energy: -58.351
flat angles P-C4'-P energy: -26.794
tors. eta vs tors. theta energy: -73.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -768.707321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.707321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.707321 (E_RNA)
where:
Base-Base interactions energy: -523.305
where: short stacking energy: -215.919
Base-Backbone interact. energy: -0.916
local terms energy: -244.485785
where:
bonds (distance) C4'-P energy: -42.055
bonds (distance) P-C4' energy: -50.027
flat angles C4'-P-C4' energy: -53.726
flat angles P-C4'-P energy: -39.478
tors. eta vs tors. theta energy: -59.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -681.064427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.064427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.064427 (E_RNA)
where:
Base-Base interactions energy: -446.689
where: short stacking energy: -197.678
Base-Backbone interact. energy: 0.554
local terms energy: -234.929883
where:
bonds (distance) C4'-P energy: -43.859
bonds (distance) P-C4' energy: -49.332
flat angles C4'-P-C4' energy: -51.194
flat angles P-C4'-P energy: -35.113
tors. eta vs tors. theta energy: -55.431
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: 8, replica: 5
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -685.542697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.542697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.542697 (E_RNA)
where:
Base-Base interactions energy: -476.223
where: short stacking energy: -190.125
Base-Backbone interact. energy: -0.163
local terms energy: -209.156371
where:
bonds (distance) C4'-P energy: -38.017
bonds (distance) P-C4' energy: -46.638
flat angles C4'-P-C4' energy: -44.680
flat angles P-C4'-P energy: -24.871
tors. eta vs tors. theta energy: -54.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -537.885518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.885518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.885518 (E_RNA)
where:
Base-Base interactions energy: -345.984
where: short stacking energy: -150.202
Base-Backbone interact. energy: -1.202
local terms energy: -190.699801
where:
bonds (distance) C4'-P energy: -35.133
bonds (distance) P-C4' energy: -45.559
flat angles C4'-P-C4' energy: -49.166
flat angles P-C4'-P energy: -19.078
tors. eta vs tors. theta energy: -41.765
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: 6
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -223.535521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.535521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.535521 (E_RNA)
where:
Base-Base interactions energy: -75.849
where: short stacking energy: -74.271
Base-Backbone interact. energy: -0.571
local terms energy: -147.115495
where:
bonds (distance) C4'-P energy: -54.253
bonds (distance) P-C4' energy: -39.656
flat angles C4'-P-C4' energy: -31.033
flat angles P-C4'-P energy: -25.067
tors. eta vs tors. theta energy: 2.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -958.801239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.801239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.801239 (E_RNA)
where:
Base-Base interactions energy: -660.125
where: short stacking energy: -293.273
Base-Backbone interact. energy: -1.364
local terms energy: -297.312521
where:
bonds (distance) C4'-P energy: -53.802
bonds (distance) P-C4' energy: -52.676
flat angles C4'-P-C4' energy: -54.902
flat angles P-C4'-P energy: -46.061
tors. eta vs tors. theta energy: -89.872
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: 2
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -903.509527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.509527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.509527 (E_RNA)
where:
Base-Base interactions energy: -631.309
where: short stacking energy: -272.011
Base-Backbone interact. energy: -1.492
local terms energy: -270.708338
where:
bonds (distance) C4'-P energy: -48.635
bonds (distance) P-C4' energy: -44.366
flat angles C4'-P-C4' energy: -53.788
flat angles P-C4'-P energy: -35.978
tors. eta vs tors. theta energy: -87.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -865.615444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.615444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.615444 (E_RNA)
where:
Base-Base interactions energy: -596.817
where: short stacking energy: -265.554
Base-Backbone interact. energy: -0.851
local terms energy: -267.947889
where:
bonds (distance) C4'-P energy: -50.428
bonds (distance) P-C4' energy: -47.763
flat angles C4'-P-C4' energy: -55.215
flat angles P-C4'-P energy: -36.124
tors. eta vs tors. theta energy: -78.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -850.228404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.228404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.228404 (E_RNA)
where:
Base-Base interactions energy: -585.688
where: short stacking energy: -256.602
Base-Backbone interact. energy: -1.111
local terms energy: -263.429185
where:
bonds (distance) C4'-P energy: -47.918
bonds (distance) P-C4' energy: -44.946
flat angles C4'-P-C4' energy: -61.520
flat angles P-C4'-P energy: -34.417
tors. eta vs tors. theta energy: -74.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -818.577584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.577584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.577584 (E_RNA)
where:
Base-Base interactions energy: -567.278
where: short stacking energy: -218.957
Base-Backbone interact. energy: 0.126
local terms energy: -251.426571
where:
bonds (distance) C4'-P energy: -50.780
bonds (distance) P-C4' energy: -49.570
flat angles C4'-P-C4' energy: -51.611
flat angles P-C4'-P energy: -32.142
tors. eta vs tors. theta energy: -67.324
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: 6, replica: 8
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -768.487596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.487596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.487596 (E_RNA)
where:
Base-Base interactions energy: -541.440
where: short stacking energy: -227.080
Base-Backbone interact. energy: 1.660
local terms energy: -228.706791
where:
bonds (distance) C4'-P energy: -38.088
bonds (distance) P-C4' energy: -45.732
flat angles C4'-P-C4' energy: -50.140
flat angles P-C4'-P energy: -36.061
tors. eta vs tors. theta energy: -58.685
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: 5
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -635.195904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.195904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.195904 (E_RNA)
where:
Base-Base interactions energy: -429.868
where: short stacking energy: -175.871
Base-Backbone interact. energy: -1.987
local terms energy: -203.341643
where:
bonds (distance) C4'-P energy: -42.821
bonds (distance) P-C4' energy: -53.497
flat angles C4'-P-C4' energy: -41.851
flat angles P-C4'-P energy: -26.326
tors. eta vs tors. theta energy: -38.847
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: 3
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -685.605322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.605322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.605322 (E_RNA)
where:
Base-Base interactions energy: -468.602
where: short stacking energy: -181.290
Base-Backbone interact. energy: -1.060
local terms energy: -215.943896
where:
bonds (distance) C4'-P energy: -50.161
bonds (distance) P-C4' energy: -46.172
flat angles C4'-P-C4' energy: -46.695
flat angles P-C4'-P energy: -30.663
tors. eta vs tors. theta energy: -42.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -525.266486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.266486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.266486 (E_RNA)
where:
Base-Base interactions energy: -303.976
where: short stacking energy: -134.562
Base-Backbone interact. energy: -1.234
local terms energy: -220.056423
where:
bonds (distance) C4'-P energy: -44.042
bonds (distance) P-C4' energy: -50.658
flat angles C4'-P-C4' energy: -52.763
flat angles P-C4'-P energy: -33.980
tors. eta vs tors. theta energy: -38.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -213.463913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.463913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.463913 (E_RNA)
where:
Base-Base interactions energy: -67.839
where: short stacking energy: -67.573
Base-Backbone interact. energy: 0.556
local terms energy: -146.180675
where:
bonds (distance) C4'-P energy: -32.392
bonds (distance) P-C4' energy: -50.905
flat angles C4'-P-C4' energy: -45.430
flat angles P-C4'-P energy: -22.826
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: 1
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -972.355416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.355416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.355416 (E_RNA)
where:
Base-Base interactions energy: -676.873
where: short stacking energy: -299.444
Base-Backbone interact. energy: -0.980
local terms energy: -294.502911
where:
bonds (distance) C4'-P energy: -50.737
bonds (distance) P-C4' energy: -46.600
flat angles C4'-P-C4' energy: -65.411
flat angles P-C4'-P energy: -45.794
tors. eta vs tors. theta energy: -85.961
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: 2, replica: 2
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -910.410769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.410769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.410769 (E_RNA)
where:
Base-Base interactions energy: -638.544
where: short stacking energy: -272.085
Base-Backbone interact. energy: -1.378
local terms energy: -270.488602
where:
bonds (distance) C4'-P energy: -55.235
bonds (distance) P-C4' energy: -39.845
flat angles C4'-P-C4' energy: -63.500
flat angles P-C4'-P energy: -32.013
tors. eta vs tors. theta energy: -79.895
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: 7
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -867.393895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.393895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.393895 (E_RNA)
where:
Base-Base interactions energy: -582.865
where: short stacking energy: -260.678
Base-Backbone interact. energy: -0.881
local terms energy: -283.647103
where:
bonds (distance) C4'-P energy: -54.766
bonds (distance) P-C4' energy: -49.735
flat angles C4'-P-C4' energy: -59.724
flat angles P-C4'-P energy: -41.751
tors. eta vs tors. theta energy: -77.672
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: 4, replica: 4
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -853.957332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.957332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.957332 (E_RNA)
where:
Base-Base interactions energy: -585.810
where: short stacking energy: -235.694
Base-Backbone interact. energy: -0.908
local terms energy: -267.239544
where:
bonds (distance) C4'-P energy: -45.572
bonds (distance) P-C4' energy: -50.549
flat angles C4'-P-C4' energy: -56.112
flat angles P-C4'-P energy: -39.014
tors. eta vs tors. theta energy: -75.993
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: 463
Temperature: 1.100000
Total energy: -793.928116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.928116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.928116 (E_RNA)
where:
Base-Base interactions energy: -547.775
where: short stacking energy: -211.828
Base-Backbone interact. energy: 0.237
local terms energy: -246.389870
where:
bonds (distance) C4'-P energy: -46.944
bonds (distance) P-C4' energy: -38.523
flat angles C4'-P-C4' energy: -59.495
flat angles P-C4'-P energy: -42.848
tors. eta vs tors. theta energy: -58.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -788.124708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.124708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.124708 (E_RNA)
where:
Base-Base interactions energy: -527.432
where: short stacking energy: -222.560
Base-Backbone interact. energy: 1.083
local terms energy: -261.775398
where:
bonds (distance) C4'-P energy: -52.468
bonds (distance) P-C4' energy: -47.112
flat angles C4'-P-C4' energy: -56.988
flat angles P-C4'-P energy: -37.521
tors. eta vs tors. theta energy: -67.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -634.294554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.294554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.294554 (E_RNA)
where:
Base-Base interactions energy: -426.091
where: short stacking energy: -191.857
Base-Backbone interact. energy: -1.046
local terms energy: -207.157832
where:
bonds (distance) C4'-P energy: -40.065
bonds (distance) P-C4' energy: -44.007
flat angles C4'-P-C4' energy: -48.074
flat angles P-C4'-P energy: -26.605
tors. eta vs tors. theta energy: -48.407
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: 3
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -670.597877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.597877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.597877 (E_RNA)
where:
Base-Base interactions energy: -469.900
where: short stacking energy: -200.849
Base-Backbone interact. energy: -0.451
local terms energy: -200.247153
where:
bonds (distance) C4'-P energy: -33.024
bonds (distance) P-C4' energy: -48.063
flat angles C4'-P-C4' energy: -39.690
flat angles P-C4'-P energy: -28.837
tors. eta vs tors. theta energy: -50.634
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: 9, replica: 9
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -488.738572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.738572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.738572 (E_RNA)
where:
Base-Base interactions energy: -307.869
where: short stacking energy: -143.918
Base-Backbone interact. energy: -0.218
local terms energy: -180.651613
where:
bonds (distance) C4'-P energy: -42.085
bonds (distance) P-C4' energy: -51.270
flat angles C4'-P-C4' energy: -39.607
flat angles P-C4'-P energy: -21.540
tors. eta vs tors. theta energy: -26.149
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: 6
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -225.921934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.921934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.921934 (E_RNA)
where:
Base-Base interactions energy: -85.635
where: short stacking energy: -65.750
Base-Backbone interact. energy: -0.537
local terms energy: -139.750656
where:
bonds (distance) C4'-P energy: -50.500
bonds (distance) P-C4' energy: -49.803
flat angles C4'-P-C4' energy: -34.265
flat angles P-C4'-P energy: -10.067
tors. eta vs tors. theta energy: 4.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -959.678887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.678887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.678887 (E_RNA)
where:
Base-Base interactions energy: -662.789
where: short stacking energy: -302.870
Base-Backbone interact. energy: -0.372
local terms energy: -296.517853
where:
bonds (distance) C4'-P energy: -54.251
bonds (distance) P-C4' energy: -50.767
flat angles C4'-P-C4' energy: -55.510
flat angles P-C4'-P energy: -45.086
tors. eta vs tors. theta energy: -90.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -918.667212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.667212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.667212 (E_RNA)
where:
Base-Base interactions energy: -640.986
where: short stacking energy: -295.724
Base-Backbone interact. energy: -0.352
local terms energy: -277.329788
where:
bonds (distance) C4'-P energy: -40.612
bonds (distance) P-C4' energy: -50.158
flat angles C4'-P-C4' energy: -56.807
flat angles P-C4'-P energy: -41.993
tors. eta vs tors. theta energy: -87.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -853.090899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.090899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.090899 (E_RNA)
where:
Base-Base interactions energy: -579.495
where: short stacking energy: -259.212
Base-Backbone interact. energy: -1.371
local terms energy: -272.224505
where:
bonds (distance) C4'-P energy: -55.969
bonds (distance) P-C4' energy: -48.009
flat angles C4'-P-C4' energy: -51.069
flat angles P-C4'-P energy: -46.190
tors. eta vs tors. theta energy: -70.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -837.969279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.969279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.969279 (E_RNA)
where:
Base-Base interactions energy: -584.700
where: short stacking energy: -251.450
Base-Backbone interact. energy: 4.945
local terms energy: -258.213929
where:
bonds (distance) C4'-P energy: -53.564
bonds (distance) P-C4' energy: -45.291
flat angles C4'-P-C4' energy: -53.184
flat angles P-C4'-P energy: -41.923
tors. eta vs tors. theta energy: -64.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -803.594303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.594303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.594303 (E_RNA)
where:
Base-Base interactions energy: -558.867
where: short stacking energy: -241.790
Base-Backbone interact. energy: -0.513
local terms energy: -244.213897
where:
bonds (distance) C4'-P energy: -53.769
bonds (distance) P-C4' energy: -45.960
flat angles C4'-P-C4' energy: -54.049
flat angles P-C4'-P energy: -34.983
tors. eta vs tors. theta energy: -55.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -780.993364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.993364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.993364 (E_RNA)
where:
Base-Base interactions energy: -543.145
where: short stacking energy: -226.608
Base-Backbone interact. energy: -0.558
local terms energy: -237.290565
where:
bonds (distance) C4'-P energy: -43.265
bonds (distance) P-C4' energy: -45.542
flat angles C4'-P-C4' energy: -49.207
flat angles P-C4'-P energy: -36.697
tors. eta vs tors. theta energy: -62.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -686.695980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.695980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.695980 (E_RNA)
where:
Base-Base interactions energy: -478.042
where: short stacking energy: -211.626
Base-Backbone interact. energy: 0.262
local terms energy: -208.915593
where:
bonds (distance) C4'-P energy: -48.497
bonds (distance) P-C4' energy: -33.212
flat angles C4'-P-C4' energy: -45.246
flat angles P-C4'-P energy: -28.145
tors. eta vs tors. theta energy: -53.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -630.572456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.572456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.572456 (E_RNA)
where:
Base-Base interactions energy: -427.215
where: short stacking energy: -182.697
Base-Backbone interact. energy: -0.121
local terms energy: -203.236362
where:
bonds (distance) C4'-P energy: -42.883
bonds (distance) P-C4' energy: -46.658
flat angles C4'-P-C4' energy: -38.246
flat angles P-C4'-P energy: -31.931
tors. eta vs tors. theta energy: -43.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -500.923462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.923462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.923462 (E_RNA)
where:
Base-Base interactions energy: -300.662
where: short stacking energy: -141.159
Base-Backbone interact. energy: 2.507
local terms energy: -202.768773
where:
bonds (distance) C4'-P energy: -41.177
bonds (distance) P-C4' energy: -47.965
flat angles C4'-P-C4' energy: -51.769
flat angles P-C4'-P energy: -30.119
tors. eta vs tors. theta energy: -31.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -210.107070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.107070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.107070 (E_RNA)
where:
Base-Base interactions energy: -67.508
where: short stacking energy: -63.459
Base-Backbone interact. energy: 1.289
local terms energy: -143.887911
where:
bonds (distance) C4'-P energy: -45.638
bonds (distance) P-C4' energy: -46.053
flat angles C4'-P-C4' energy: -32.488
flat angles P-C4'-P energy: -15.915
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: 1
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -954.756720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.756720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.756720 (E_RNA)
where:
Base-Base interactions energy: -666.480
where: short stacking energy: -289.006
Base-Backbone interact. energy: 0.085
local terms energy: -288.361996
where:
bonds (distance) C4'-P energy: -46.345
bonds (distance) P-C4' energy: -60.179
flat angles C4'-P-C4' energy: -52.620
flat angles P-C4'-P energy: -42.832
tors. eta vs tors. theta energy: -86.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -921.947656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.947656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.947656 (E_RNA)
where:
Base-Base interactions energy: -654.225
where: short stacking energy: -277.093
Base-Backbone interact. energy: -0.435
local terms energy: -267.287252
where:
bonds (distance) C4'-P energy: -52.026
bonds (distance) P-C4' energy: -46.247
flat angles C4'-P-C4' energy: -55.148
flat angles P-C4'-P energy: -36.892
tors. eta vs tors. theta energy: -76.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -883.238740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.238740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.238740 (E_RNA)
where:
Base-Base interactions energy: -604.731
where: short stacking energy: -271.809
Base-Backbone interact. energy: -0.217
local terms energy: -278.290306
where:
bonds (distance) C4'-P energy: -51.134
bonds (distance) P-C4' energy: -48.381
flat angles C4'-P-C4' energy: -59.047
flat angles P-C4'-P energy: -40.374
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: 4, replica: 4
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -832.553018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.553018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.553018 (E_RNA)
where:
Base-Base interactions energy: -574.873
where: short stacking energy: -256.625
Base-Backbone interact. energy: 1.109
local terms energy: -258.788477
where:
bonds (distance) C4'-P energy: -44.297
bonds (distance) P-C4' energy: -48.273
flat angles C4'-P-C4' energy: -55.861
flat angles P-C4'-P energy: -39.217
tors. eta vs tors. theta energy: -71.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -798.867600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.867600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.867600 (E_RNA)
where:
Base-Base interactions energy: -544.843
where: short stacking energy: -228.777
Base-Backbone interact. energy: -0.872
local terms energy: -253.153235
where:
bonds (distance) C4'-P energy: -50.568
bonds (distance) P-C4' energy: -52.681
flat angles C4'-P-C4' energy: -47.166
flat angles P-C4'-P energy: -40.273
tors. eta vs tors. theta energy: -62.466
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: 6, replica: 10
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -784.930041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.930041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.930041 (E_RNA)
where:
Base-Base interactions energy: -527.793
where: short stacking energy: -223.170
Base-Backbone interact. energy: -0.303
local terms energy: -256.834289
where:
bonds (distance) C4'-P energy: -54.053
bonds (distance) P-C4' energy: -49.240
flat angles C4'-P-C4' energy: -47.706
flat angles P-C4'-P energy: -37.117
tors. eta vs tors. theta energy: -68.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -688.878341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.878341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.878341 (E_RNA)
where:
Base-Base interactions energy: -475.179
where: short stacking energy: -202.317
Base-Backbone interact. energy: -1.275
local terms energy: -212.424039
where:
bonds (distance) C4'-P energy: -42.078
bonds (distance) P-C4' energy: -48.927
flat angles C4'-P-C4' energy: -40.281
flat angles P-C4'-P energy: -36.207
tors. eta vs tors. theta energy: -44.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -610.944407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.944407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.944407 (E_RNA)
where:
Base-Base interactions energy: -423.507
where: short stacking energy: -162.578
Base-Backbone interact. energy: -1.371
local terms energy: -186.066186
where:
bonds (distance) C4'-P energy: -35.783
bonds (distance) P-C4' energy: -38.954
flat angles C4'-P-C4' energy: -50.555
flat angles P-C4'-P energy: -24.683
tors. eta vs tors. theta energy: -36.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -499.890362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.890362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.890362 (E_RNA)
where:
Base-Base interactions energy: -310.721
where: short stacking energy: -128.953
Base-Backbone interact. energy: -1.301
local terms energy: -187.867829
where:
bonds (distance) C4'-P energy: -41.204
bonds (distance) P-C4' energy: -48.961
flat angles C4'-P-C4' energy: -43.579
flat angles P-C4'-P energy: -36.061
tors. eta vs tors. theta energy: -18.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -223.045780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.045780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.045780 (E_RNA)
where:
Base-Base interactions energy: -63.668
where: short stacking energy: -59.873
Base-Backbone interact. energy: 2.014
local terms energy: -161.391837
where:
bonds (distance) C4'-P energy: -47.166
bonds (distance) P-C4' energy: -57.305
flat angles C4'-P-C4' energy: -43.068
flat angles P-C4'-P energy: -21.167
tors. eta vs tors. theta energy: 7.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -932.165388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.165388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.165388 (E_RNA)
where:
Base-Base interactions energy: -641.309
where: short stacking energy: -282.054
Base-Backbone interact. energy: -0.181
local terms energy: -290.675114
where:
bonds (distance) C4'-P energy: -51.092
bonds (distance) P-C4' energy: -51.734
flat angles C4'-P-C4' energy: -61.276
flat angles P-C4'-P energy: -47.372
tors. eta vs tors. theta energy: -79.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -933.436492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.436492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.436492 (E_RNA)
where:
Base-Base interactions energy: -656.212
where: short stacking energy: -294.226
Base-Backbone interact. energy: -0.282
local terms energy: -276.942272
where:
bonds (distance) C4'-P energy: -52.786
bonds (distance) P-C4' energy: -49.183
flat angles C4'-P-C4' energy: -54.406
flat angles P-C4'-P energy: -37.261
tors. eta vs tors. theta energy: -83.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -891.279236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.279236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.279236 (E_RNA)
where:
Base-Base interactions energy: -611.626
where: short stacking energy: -279.549
Base-Backbone interact. energy: 1.070
local terms energy: -280.723529
where:
bonds (distance) C4'-P energy: -49.253
bonds (distance) P-C4' energy: -50.937
flat angles C4'-P-C4' energy: -60.863
flat angles P-C4'-P energy: -41.262
tors. eta vs tors. theta energy: -78.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -850.399093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.399093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.399093 (E_RNA)
where:
Base-Base interactions energy: -575.522
where: short stacking energy: -243.885
Base-Backbone interact. energy: -1.025
local terms energy: -273.852437
where:
bonds (distance) C4'-P energy: -49.706
bonds (distance) P-C4' energy: -53.287
flat angles C4'-P-C4' energy: -58.695
flat angles P-C4'-P energy: -40.553
tors. eta vs tors. theta energy: -71.612
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: 5, replica: 8
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -779.476874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.476874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.476874 (E_RNA)
where:
Base-Base interactions energy: -537.676
where: short stacking energy: -239.009
Base-Backbone interact. energy: 2.083
local terms energy: -243.883932
where:
bonds (distance) C4'-P energy: -45.204
bonds (distance) P-C4' energy: -42.371
flat angles C4'-P-C4' energy: -54.423
flat angles P-C4'-P energy: -35.454
tors. eta vs tors. theta energy: -66.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -780.773608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.773608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.773608 (E_RNA)
where:
Base-Base interactions energy: -545.065
where: short stacking energy: -218.404
Base-Backbone interact. energy: -1.598
local terms energy: -234.110768
where:
bonds (distance) C4'-P energy: -43.116
bonds (distance) P-C4' energy: -43.089
flat angles C4'-P-C4' energy: -53.266
flat angles P-C4'-P energy: -37.914
tors. eta vs tors. theta energy: -56.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -660.089070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.089070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.089070 (E_RNA)
where:
Base-Base interactions energy: -468.682
where: short stacking energy: -188.479
Base-Backbone interact. energy: 2.032
local terms energy: -193.439574
where:
bonds (distance) C4'-P energy: -33.000
bonds (distance) P-C4' energy: -47.077
flat angles C4'-P-C4' energy: -54.853
flat angles P-C4'-P energy: -19.298
tors. eta vs tors. theta energy: -39.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -644.387667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.387667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.387667 (E_RNA)
where:
Base-Base interactions energy: -449.457
where: short stacking energy: -189.439
Base-Backbone interact. energy: 0.970
local terms energy: -195.899745
where:
bonds (distance) C4'-P energy: -36.951
bonds (distance) P-C4' energy: -40.571
flat angles C4'-P-C4' energy: -42.261
flat angles P-C4'-P energy: -31.622
tors. eta vs tors. theta energy: -44.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -519.733391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.733391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.733391 (E_RNA)
where:
Base-Base interactions energy: -335.118
where: short stacking energy: -141.234
Base-Backbone interact. energy: -0.492
local terms energy: -184.124131
where:
bonds (distance) C4'-P energy: -45.200
bonds (distance) P-C4' energy: -36.017
flat angles C4'-P-C4' energy: -46.479
flat angles P-C4'-P energy: -25.225
tors. eta vs tors. theta energy: -31.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -233.801896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.801896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.801896 (E_RNA)
where:
Base-Base interactions energy: -81.268
where: short stacking energy: -70.067
Base-Backbone interact. energy: -0.723
local terms energy: -151.811355
where:
bonds (distance) C4'-P energy: -45.026
bonds (distance) P-C4' energy: -43.337
flat angles C4'-P-C4' energy: -43.032
flat angles P-C4'-P energy: -19.569
tors. eta vs tors. theta energy: -0.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -937.025998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.025998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.025998 (E_RNA)
where:
Base-Base interactions energy: -647.684
where: short stacking energy: -284.122
Base-Backbone interact. energy: -0.562
local terms energy: -288.779416
where:
bonds (distance) C4'-P energy: -51.659
bonds (distance) P-C4' energy: -49.449
flat angles C4'-P-C4' energy: -65.129
flat angles P-C4'-P energy: -41.680
tors. eta vs tors. theta energy: -80.863
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: 2, replica: 1
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -941.726501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.726501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.726501 (E_RNA)
where:
Base-Base interactions energy: -648.378
where: short stacking energy: -287.647
Base-Backbone interact. energy: -1.824
local terms energy: -291.525372
where:
bonds (distance) C4'-P energy: -52.411
bonds (distance) P-C4' energy: -58.846
flat angles C4'-P-C4' energy: -60.634
flat angles P-C4'-P energy: -34.816
tors. eta vs tors. theta energy: -84.818
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: 7
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -887.147415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.147415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.147415 (E_RNA)
where:
Base-Base interactions energy: -612.970
where: short stacking energy: -269.562
Base-Backbone interact. energy: -0.228
local terms energy: -273.948824
where:
bonds (distance) C4'-P energy: -57.297
bonds (distance) P-C4' energy: -49.542
flat angles C4'-P-C4' energy: -55.984
flat angles P-C4'-P energy: -34.252
tors. eta vs tors. theta energy: -76.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -841.070791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.070791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.070791 (E_RNA)
where:
Base-Base interactions energy: -568.338
where: short stacking energy: -255.416
Base-Backbone interact. energy: 0.536
local terms energy: -273.268115
where:
bonds (distance) C4'-P energy: -52.364
bonds (distance) P-C4' energy: -50.213
flat angles C4'-P-C4' energy: -57.743
flat angles P-C4'-P energy: -39.514
tors. eta vs tors. theta energy: -73.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -794.802331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.802331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.802331 (E_RNA)
where:
Base-Base interactions energy: -548.277
where: short stacking energy: -225.980
Base-Backbone interact. energy: 0.199
local terms energy: -246.724130
where:
bonds (distance) C4'-P energy: -52.865
bonds (distance) P-C4' energy: -42.976
flat angles C4'-P-C4' energy: -47.794
flat angles P-C4'-P energy: -36.055
tors. eta vs tors. theta energy: -67.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -804.993821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.993821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.993821 (E_RNA)
where:
Base-Base interactions energy: -548.598
where: short stacking energy: -241.121
Base-Backbone interact. energy: -1.770
local terms energy: -254.625659
where:
bonds (distance) C4'-P energy: -46.250
bonds (distance) P-C4' energy: -55.044
flat angles C4'-P-C4' energy: -52.847
flat angles P-C4'-P energy: -32.010
tors. eta vs tors. theta energy: -68.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -711.233711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.233711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.233711 (E_RNA)
where:
Base-Base interactions energy: -498.214
where: short stacking energy: -194.632
Base-Backbone interact. energy: -0.458
local terms energy: -212.561558
where:
bonds (distance) C4'-P energy: -53.594
bonds (distance) P-C4' energy: -42.698
flat angles C4'-P-C4' energy: -45.723
flat angles P-C4'-P energy: -21.477
tors. eta vs tors. theta energy: -49.070
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: 8, replica: 5
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -643.501016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.501016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.501016 (E_RNA)
where:
Base-Base interactions energy: -413.860
where: short stacking energy: -184.847
Base-Backbone interact. energy: -1.612
local terms energy: -228.029107
where:
bonds (distance) C4'-P energy: -54.097
bonds (distance) P-C4' energy: -40.274
flat angles C4'-P-C4' energy: -44.945
flat angles P-C4'-P energy: -38.689
tors. eta vs tors. theta energy: -50.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -532.755217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.755217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.755217 (E_RNA)
where:
Base-Base interactions energy: -356.154
where: short stacking energy: -147.505
Base-Backbone interact. energy: -0.200
local terms energy: -176.401142
where:
bonds (distance) C4'-P energy: -37.291
bonds (distance) P-C4' energy: -50.212
flat angles C4'-P-C4' energy: -44.152
flat angles P-C4'-P energy: -18.741
tors. eta vs tors. theta energy: -26.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -241.189834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.189834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.189834 (E_RNA)
where:
Base-Base interactions energy: -114.577
where: short stacking energy: -68.402
Base-Backbone interact. energy: 2.202
local terms energy: -128.815276
where:
bonds (distance) C4'-P energy: -33.130
bonds (distance) P-C4' energy: -46.997
flat angles C4'-P-C4' energy: -40.815
flat angles P-C4'-P energy: -21.717
tors. eta vs tors. theta energy: 13.844
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: 1
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -945.429055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.429055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.429055 (E_RNA)
where:
Base-Base interactions energy: -640.720
where: short stacking energy: -278.367
Base-Backbone interact. energy: -0.849
local terms energy: -303.860265
where:
bonds (distance) C4'-P energy: -50.053
bonds (distance) P-C4' energy: -57.289
flat angles C4'-P-C4' energy: -61.008
flat angles P-C4'-P energy: -44.634
tors. eta vs tors. theta energy: -90.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -926.369080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.369080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.369080 (E_RNA)
where:
Base-Base interactions energy: -629.548
where: short stacking energy: -274.844
Base-Backbone interact. energy: -0.542
local terms energy: -296.279290
where:
bonds (distance) C4'-P energy: -53.025
bonds (distance) P-C4' energy: -59.803
flat angles C4'-P-C4' energy: -56.263
flat angles P-C4'-P energy: -48.844
tors. eta vs tors. theta energy: -78.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -860.274390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.274390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.274390 (E_RNA)
where:
Base-Base interactions energy: -585.513
where: short stacking energy: -243.301
Base-Backbone interact. energy: 1.554
local terms energy: -276.315244
where:
bonds (distance) C4'-P energy: -46.071
bonds (distance) P-C4' energy: -51.288
flat angles C4'-P-C4' energy: -59.155
flat angles P-C4'-P energy: -41.395
tors. eta vs tors. theta energy: -78.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -827.973941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.973941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.973941 (E_RNA)
where:
Base-Base interactions energy: -583.220
where: short stacking energy: -252.760
Base-Backbone interact. energy: -0.525
local terms energy: -244.228873
where:
bonds (distance) C4'-P energy: -44.615
bonds (distance) P-C4' energy: -50.144
flat angles C4'-P-C4' energy: -51.501
flat angles P-C4'-P energy: -29.960
tors. eta vs tors. theta energy: -68.008
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: 10
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -815.860920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.860920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.860920 (E_RNA)
where:
Base-Base interactions energy: -561.537
where: short stacking energy: -241.914
Base-Backbone interact. energy: -0.888
local terms energy: -253.435391
where:
bonds (distance) C4'-P energy: -46.702
bonds (distance) P-C4' energy: -48.942
flat angles C4'-P-C4' energy: -58.646
flat angles P-C4'-P energy: -37.682
tors. eta vs tors. theta energy: -61.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -782.155693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.155693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.155693 (E_RNA)
where:
Base-Base interactions energy: -519.110
where: short stacking energy: -225.492
Base-Backbone interact. energy: 0.734
local terms energy: -263.780587
where:
bonds (distance) C4'-P energy: -52.228
bonds (distance) P-C4' energy: -47.992
flat angles C4'-P-C4' energy: -55.270
flat angles P-C4'-P energy: -34.692
tors. eta vs tors. theta energy: -73.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -690.711302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.711302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.711302 (E_RNA)
where:
Base-Base interactions energy: -468.904
where: short stacking energy: -195.890
Base-Backbone interact. energy: -0.667
local terms energy: -221.140720
where:
bonds (distance) C4'-P energy: -41.901
bonds (distance) P-C4' energy: -41.521
flat angles C4'-P-C4' energy: -47.432
flat angles P-C4'-P energy: -37.532
tors. eta vs tors. theta energy: -52.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -700.946039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.946039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.946039 (E_RNA)
where:
Base-Base interactions energy: -501.554
where: short stacking energy: -196.507
Base-Backbone interact. energy: 3.298
local terms energy: -202.689269
where:
bonds (distance) C4'-P energy: -45.167
bonds (distance) P-C4' energy: -38.028
flat angles C4'-P-C4' energy: -44.476
flat angles P-C4'-P energy: -30.545
tors. eta vs tors. theta energy: -44.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -557.236357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.236357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.236357 (E_RNA)
where:
Base-Base interactions energy: -363.778
where: short stacking energy: -163.216
Base-Backbone interact. energy: -1.413
local terms energy: -192.045802
where:
bonds (distance) C4'-P energy: -38.455
bonds (distance) P-C4' energy: -52.629
flat angles C4'-P-C4' energy: -44.088
flat angles P-C4'-P energy: -20.397
tors. eta vs tors. theta energy: -36.477
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: 6
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -210.796129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.796129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.796129 (E_RNA)
where:
Base-Base interactions energy: -77.754
where: short stacking energy: -62.058
Base-Backbone interact. energy: -1.744
local terms energy: -131.298037
where:
bonds (distance) C4'-P energy: -32.081
bonds (distance) P-C4' energy: -44.981
flat angles C4'-P-C4' energy: -40.352
flat angles P-C4'-P energy: -21.919
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: 1, replica: 1
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -952.590931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.590931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.590931 (E_RNA)
where:
Base-Base interactions energy: -668.284
where: short stacking energy: -305.093
Base-Backbone interact. energy: -0.570
local terms energy: -283.736454
where:
bonds (distance) C4'-P energy: -45.176
bonds (distance) P-C4' energy: -51.135
flat angles C4'-P-C4' energy: -55.229
flat angles P-C4'-P energy: -43.745
tors. eta vs tors. theta energy: -88.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -918.525219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.525219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.525219 (E_RNA)
where:
Base-Base interactions energy: -640.065
where: short stacking energy: -281.911
Base-Backbone interact. energy: 0.205
local terms energy: -278.665400
where:
bonds (distance) C4'-P energy: -50.432
bonds (distance) P-C4' energy: -49.937
flat angles C4'-P-C4' energy: -59.548
flat angles P-C4'-P energy: -45.327
tors. eta vs tors. theta energy: -73.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -866.532247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.532247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.532247 (E_RNA)
where:
Base-Base interactions energy: -590.093
where: short stacking energy: -264.384
Base-Backbone interact. energy: 1.111
local terms energy: -277.550413
where:
bonds (distance) C4'-P energy: -51.605
bonds (distance) P-C4' energy: -50.063
flat angles C4'-P-C4' energy: -54.487
flat angles P-C4'-P energy: -45.423
tors. eta vs tors. theta energy: -75.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -825.710335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.710335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.710335 (E_RNA)
where:
Base-Base interactions energy: -568.376
where: short stacking energy: -218.999
Base-Backbone interact. energy: 1.003
local terms energy: -258.336540
where:
bonds (distance) C4'-P energy: -56.356
bonds (distance) P-C4' energy: -47.671
flat angles C4'-P-C4' energy: -54.520
flat angles P-C4'-P energy: -36.658
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: 5, replica: 7
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -820.338700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.338700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.338700 (E_RNA)
where:
Base-Base interactions energy: -573.620
where: short stacking energy: -245.971
Base-Backbone interact. energy: 0.313
local terms energy: -247.030951
where:
bonds (distance) C4'-P energy: -55.300
bonds (distance) P-C4' energy: -31.873
flat angles C4'-P-C4' energy: -51.153
flat angles P-C4'-P energy: -41.451
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: 6, replica: 8
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -781.185090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.185090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.185090 (E_RNA)
where:
Base-Base interactions energy: -537.759
where: short stacking energy: -223.739
Base-Backbone interact. energy: -0.336
local terms energy: -243.090168
where:
bonds (distance) C4'-P energy: -39.914
bonds (distance) P-C4' energy: -54.846
flat angles C4'-P-C4' energy: -59.406
flat angles P-C4'-P energy: -26.571
tors. eta vs tors. theta energy: -62.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -755.652809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.652809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.652809 (E_RNA)
where:
Base-Base interactions energy: -506.440
where: short stacking energy: -216.992
Base-Backbone interact. energy: -0.867
local terms energy: -248.345501
where:
bonds (distance) C4'-P energy: -42.239
bonds (distance) P-C4' energy: -48.047
flat angles C4'-P-C4' energy: -50.936
flat angles P-C4'-P energy: -35.811
tors. eta vs tors. theta energy: -71.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -715.619274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.619274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.619274 (E_RNA)
where:
Base-Base interactions energy: -490.090
where: short stacking energy: -195.733
Base-Backbone interact. energy: 2.511
local terms energy: -228.041058
where:
bonds (distance) C4'-P energy: -51.057
bonds (distance) P-C4' energy: -49.365
flat angles C4'-P-C4' energy: -50.498
flat angles P-C4'-P energy: -23.356
tors. eta vs tors. theta energy: -53.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -556.680083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.680083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.680083 (E_RNA)
where:
Base-Base interactions energy: -357.090
where: short stacking energy: -146.613
Base-Backbone interact. energy: 0.802
local terms energy: -200.391883
where:
bonds (distance) C4'-P energy: -45.705
bonds (distance) P-C4' energy: -51.986
flat angles C4'-P-C4' energy: -43.045
flat angles P-C4'-P energy: -20.981
tors. eta vs tors. theta energy: -38.675
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: 6
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -243.588195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.588195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.588195 (E_RNA)
where:
Base-Base interactions energy: -86.184
where: short stacking energy: -80.905
Base-Backbone interact. energy: -0.864
local terms energy: -156.539625
where:
bonds (distance) C4'-P energy: -52.106
bonds (distance) P-C4' energy: -48.089
flat angles C4'-P-C4' energy: -34.578
flat angles P-C4'-P energy: -16.299
tors. eta vs tors. theta energy: -5.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -964.561331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.561331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.561331 (E_RNA)
where:
Base-Base interactions energy: -666.739
where: short stacking energy: -291.083
Base-Backbone interact. energy: -0.409
local terms energy: -297.413633
where:
bonds (distance) C4'-P energy: -53.632
bonds (distance) P-C4' energy: -54.323
flat angles C4'-P-C4' energy: -60.284
flat angles P-C4'-P energy: -44.067
tors. eta vs tors. theta energy: -85.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -920.828679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.828679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.828679 (E_RNA)
where:
Base-Base interactions energy: -636.307
where: short stacking energy: -260.858
Base-Backbone interact. energy: -2.826
local terms energy: -281.696458
where:
bonds (distance) C4'-P energy: -51.221
bonds (distance) P-C4' energy: -52.527
flat angles C4'-P-C4' energy: -56.998
flat angles P-C4'-P energy: -46.077
tors. eta vs tors. theta energy: -74.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -868.512585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.512585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.512585 (E_RNA)
where:
Base-Base interactions energy: -592.260
where: short stacking energy: -262.123
Base-Backbone interact. energy: 0.345
local terms energy: -276.597514
where:
bonds (distance) C4'-P energy: -42.767
bonds (distance) P-C4' energy: -56.832
flat angles C4'-P-C4' energy: -54.500
flat angles P-C4'-P energy: -43.057
tors. eta vs tors. theta energy: -79.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -826.837665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.837665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.837665 (E_RNA)
where:
Base-Base interactions energy: -577.413
where: short stacking energy: -233.456
Base-Backbone interact. energy: -1.492
local terms energy: -247.932149
where:
bonds (distance) C4'-P energy: -47.130
bonds (distance) P-C4' energy: -52.725
flat angles C4'-P-C4' energy: -50.014
flat angles P-C4'-P energy: -31.771
tors. eta vs tors. theta energy: -66.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -821.824139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.824139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.824139 (E_RNA)
where:
Base-Base interactions energy: -581.207
where: short stacking energy: -235.526
Base-Backbone interact. energy: 6.622
local terms energy: -247.238303
where:
bonds (distance) C4'-P energy: -43.437
bonds (distance) P-C4' energy: -50.035
flat angles C4'-P-C4' energy: -59.103
flat angles P-C4'-P energy: -30.249
tors. eta vs tors. theta energy: -64.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -803.003026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.003026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.003026 (E_RNA)
where:
Base-Base interactions energy: -549.092
where: short stacking energy: -244.709
Base-Backbone interact. energy: 2.319
local terms energy: -256.229921
where:
bonds (distance) C4'-P energy: -46.905
bonds (distance) P-C4' energy: -47.691
flat angles C4'-P-C4' energy: -51.960
flat angles P-C4'-P energy: -37.069
tors. eta vs tors. theta energy: -72.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -753.666031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.666031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.666031 (E_RNA)
where:
Base-Base interactions energy: -520.406
where: short stacking energy: -213.898
Base-Backbone interact. energy: -0.560
local terms energy: -232.699678
where:
bonds (distance) C4'-P energy: -43.820
bonds (distance) P-C4' energy: -46.090
flat angles C4'-P-C4' energy: -45.196
flat angles P-C4'-P energy: -33.014
tors. eta vs tors. theta energy: -64.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -724.304580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.304580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.304580 (E_RNA)
where:
Base-Base interactions energy: -510.470
where: short stacking energy: -213.428
Base-Backbone interact. energy: 2.368
local terms energy: -216.202748
where:
bonds (distance) C4'-P energy: -25.758
bonds (distance) P-C4' energy: -47.498
flat angles C4'-P-C4' energy: -49.482
flat angles P-C4'-P energy: -35.493
tors. eta vs tors. theta energy: -57.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -453.406542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.406542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.406542 (E_RNA)
where:
Base-Base interactions energy: -279.663
where: short stacking energy: -130.514
Base-Backbone interact. energy: 0.374
local terms energy: -174.117938
where:
bonds (distance) C4'-P energy: -39.538
bonds (distance) P-C4' energy: -46.875
flat angles C4'-P-C4' energy: -43.668
flat angles P-C4'-P energy: -28.219
tors. eta vs tors. theta energy: -15.817
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: 6
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -252.024836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.024836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.024836 (E_RNA)
where:
Base-Base interactions energy: -116.186
where: short stacking energy: -65.887
Base-Backbone interact. energy: -1.468
local terms energy: -134.370553
where:
bonds (distance) C4'-P energy: -41.056
bonds (distance) P-C4' energy: -42.923
flat angles C4'-P-C4' energy: -38.685
flat angles P-C4'-P energy: -32.524
tors. eta vs tors. theta energy: 20.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -957.988566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.988566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.988566 (E_RNA)
where:
Base-Base interactions energy: -666.033
where: short stacking energy: -282.291
Base-Backbone interact. energy: 1.375
local terms energy: -293.330553
where:
bonds (distance) C4'-P energy: -57.345
bonds (distance) P-C4' energy: -58.004
flat angles C4'-P-C4' energy: -54.403
flat angles P-C4'-P energy: -34.024
tors. eta vs tors. theta energy: -89.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -915.874287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.874287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.874287 (E_RNA)
where:
Base-Base interactions energy: -629.131
where: short stacking energy: -270.524
Base-Backbone interact. energy: -1.847
local terms energy: -284.895887
where:
bonds (distance) C4'-P energy: -51.633
bonds (distance) P-C4' energy: -49.353
flat angles C4'-P-C4' energy: -63.982
flat angles P-C4'-P energy: -43.905
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: 3, replica: 4
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -879.601404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.601404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.601404 (E_RNA)
where:
Base-Base interactions energy: -622.766
where: short stacking energy: -255.035
Base-Backbone interact. energy: -0.392
local terms energy: -256.443630
where:
bonds (distance) C4'-P energy: -48.429
bonds (distance) P-C4' energy: -42.467
flat angles C4'-P-C4' energy: -51.298
flat angles P-C4'-P energy: -39.818
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: 4, replica: 8
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -832.842530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.842530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.842530 (E_RNA)
where:
Base-Base interactions energy: -579.024
where: short stacking energy: -236.658
Base-Backbone interact. energy: -0.215
local terms energy: -253.603970
where:
bonds (distance) C4'-P energy: -47.323
bonds (distance) P-C4' energy: -49.024
flat angles C4'-P-C4' energy: -49.703
flat angles P-C4'-P energy: -39.162
tors. eta vs tors. theta energy: -68.392
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: 5, replica: 10
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -789.715608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.715608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.715608 (E_RNA)
where:
Base-Base interactions energy: -552.679
where: short stacking energy: -230.816
Base-Backbone interact. energy: 0.701
local terms energy: -237.738098
where:
bonds (distance) C4'-P energy: -38.651
bonds (distance) P-C4' energy: -47.818
flat angles C4'-P-C4' energy: -53.502
flat angles P-C4'-P energy: -33.445
tors. eta vs tors. theta energy: -64.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -820.913780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.913780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.913780 (E_RNA)
where:
Base-Base interactions energy: -551.498
where: short stacking energy: -238.457
Base-Backbone interact. energy: 0.039
local terms energy: -269.455251
where:
bonds (distance) C4'-P energy: -47.687
bonds (distance) P-C4' energy: -48.840
flat angles C4'-P-C4' energy: -59.360
flat angles P-C4'-P energy: -36.474
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: 7, replica: 3
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -733.705341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.705341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.705341 (E_RNA)
where:
Base-Base interactions energy: -504.613
where: short stacking energy: -206.610
Base-Backbone interact. energy: 2.576
local terms energy: -231.669013
where:
bonds (distance) C4'-P energy: -41.048
bonds (distance) P-C4' energy: -47.763
flat angles C4'-P-C4' energy: -52.564
flat angles P-C4'-P energy: -24.643
tors. eta vs tors. theta energy: -65.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -702.357697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.357697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.357697 (E_RNA)
where:
Base-Base interactions energy: -487.145
where: short stacking energy: -190.198
Base-Backbone interact. energy: 2.100
local terms energy: -217.312364
where:
bonds (distance) C4'-P energy: -49.159
bonds (distance) P-C4' energy: -41.383
flat angles C4'-P-C4' energy: -48.369
flat angles P-C4'-P energy: -22.007
tors. eta vs tors. theta energy: -56.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -477.204093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.204093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.204093 (E_RNA)
where:
Base-Base interactions energy: -289.525
where: short stacking energy: -108.984
Base-Backbone interact. energy: -1.125
local terms energy: -186.554014
where:
bonds (distance) C4'-P energy: -49.542
bonds (distance) P-C4' energy: -44.229
flat angles C4'-P-C4' energy: -45.359
flat angles P-C4'-P energy: -31.521
tors. eta vs tors. theta energy: -15.903
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: 6
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -298.256547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.256547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.256547 (E_RNA)
where:
Base-Base interactions energy: -159.675
where: short stacking energy: -100.654
Base-Backbone interact. energy: -0.214
local terms energy: -138.367249
where:
bonds (distance) C4'-P energy: -33.033
bonds (distance) P-C4' energy: -43.580
flat angles C4'-P-C4' energy: -35.172
flat angles P-C4'-P energy: -21.634
tors. eta vs tors. theta energy: -4.947
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: 1, replica: 1
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -942.322628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.322628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.322628 (E_RNA)
where:
Base-Base interactions energy: -648.013
where: short stacking energy: -284.412
Base-Backbone interact. energy: -0.708
local terms energy: -293.601367
where:
bonds (distance) C4'-P energy: -51.169
bonds (distance) P-C4' energy: -53.932
flat angles C4'-P-C4' energy: -54.751
flat angles P-C4'-P energy: -46.897
tors. eta vs tors. theta energy: -86.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -930.681281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.681281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.681281 (E_RNA)
where:
Base-Base interactions energy: -650.201
where: short stacking energy: -280.980
Base-Backbone interact. energy: 0.094
local terms energy: -280.573539
where:
bonds (distance) C4'-P energy: -54.830
bonds (distance) P-C4' energy: -47.618
flat angles C4'-P-C4' energy: -62.403
flat angles P-C4'-P energy: -35.709
tors. eta vs tors. theta energy: -80.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -883.530572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.530572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.530572 (E_RNA)
where:
Base-Base interactions energy: -615.748
where: short stacking energy: -263.078
Base-Backbone interact. energy: -0.456
local terms energy: -267.326702
where:
bonds (distance) C4'-P energy: -43.767
bonds (distance) P-C4' energy: -55.380
flat angles C4'-P-C4' energy: -57.124
flat angles P-C4'-P energy: -32.459
tors. eta vs tors. theta energy: -78.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -855.482112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.482112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.482112 (E_RNA)
where:
Base-Base interactions energy: -593.833
where: short stacking energy: -232.055
Base-Backbone interact. energy: 0.494
local terms energy: -262.142960
where:
bonds (distance) C4'-P energy: -47.817
bonds (distance) P-C4' energy: -56.187
flat angles C4'-P-C4' energy: -50.696
flat angles P-C4'-P energy: -35.151
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: 5, replica: 10
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -796.606003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.606003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.606003 (E_RNA)
where:
Base-Base interactions energy: -547.800
where: short stacking energy: -225.898
Base-Backbone interact. energy: -1.053
local terms energy: -247.753684
where:
bonds (distance) C4'-P energy: -48.138
bonds (distance) P-C4' energy: -49.972
flat angles C4'-P-C4' energy: -50.687
flat angles P-C4'-P energy: -36.445
tors. eta vs tors. theta energy: -62.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -815.678767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.678767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.678767 (E_RNA)
where:
Base-Base interactions energy: -559.105
where: short stacking energy: -252.425
Base-Backbone interact. energy: -0.243
local terms energy: -256.330907
where:
bonds (distance) C4'-P energy: -53.468
bonds (distance) P-C4' energy: -45.518
flat angles C4'-P-C4' energy: -51.659
flat angles P-C4'-P energy: -32.198
tors. eta vs tors. theta energy: -73.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -756.304512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.304512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.304512 (E_RNA)
where:
Base-Base interactions energy: -512.991
where: short stacking energy: -211.366
Base-Backbone interact. energy: -0.119
local terms energy: -243.194285
where:
bonds (distance) C4'-P energy: -43.494
bonds (distance) P-C4' energy: -56.052
flat angles C4'-P-C4' energy: -46.978
flat angles P-C4'-P energy: -37.787
tors. eta vs tors. theta energy: -58.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -707.022961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.022961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.022961 (E_RNA)
where:
Base-Base interactions energy: -488.952
where: short stacking energy: -207.363
Base-Backbone interact. energy: -0.504
local terms energy: -217.567292
where:
bonds (distance) C4'-P energy: -35.053
bonds (distance) P-C4' energy: -50.029
flat angles C4'-P-C4' energy: -47.007
flat angles P-C4'-P energy: -23.055
tors. eta vs tors. theta energy: -62.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -476.753050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.753050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.753050 (E_RNA)
where:
Base-Base interactions energy: -310.781
where: short stacking energy: -145.881
Base-Backbone interact. energy: -0.399
local terms energy: -165.573442
where:
bonds (distance) C4'-P energy: -24.879
bonds (distance) P-C4' energy: -45.311
flat angles C4'-P-C4' energy: -38.016
flat angles P-C4'-P energy: -30.441
tors. eta vs tors. theta energy: -26.927
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: 10, replica: 6
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -229.439781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.439781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.439781 (E_RNA)
where:
Base-Base interactions energy: -98.663
where: short stacking energy: -72.757
Base-Backbone interact. energy: 0.913
local terms energy: -131.689422
where:
bonds (distance) C4'-P energy: -35.980
bonds (distance) P-C4' energy: -48.512
flat angles C4'-P-C4' energy: -37.018
flat angles P-C4'-P energy: -20.619
tors. eta vs tors. theta energy: 10.439
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: 1
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -955.906579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.906579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.906579 (E_RNA)
where:
Base-Base interactions energy: -656.885
where: short stacking energy: -299.197
Base-Backbone interact. energy: 2.934
local terms energy: -301.955489
where:
bonds (distance) C4'-P energy: -59.128
bonds (distance) P-C4' energy: -47.224
flat angles C4'-P-C4' energy: -61.424
flat angles P-C4'-P energy: -44.998
tors. eta vs tors. theta energy: -89.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -937.534811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.534811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.534811 (E_RNA)
where:
Base-Base interactions energy: -644.726
where: short stacking energy: -273.425
Base-Backbone interact. energy: -1.541
local terms energy: -291.267250
where:
bonds (distance) C4'-P energy: -55.083
bonds (distance) P-C4' energy: -48.081
flat angles C4'-P-C4' energy: -56.517
flat angles P-C4'-P energy: -45.058
tors. eta vs tors. theta energy: -86.528
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: 3, replica: 4
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -893.183719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.183719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.183719 (E_RNA)
where:
Base-Base interactions energy: -611.016
where: short stacking energy: -270.968
Base-Backbone interact. energy: -0.370
local terms energy: -281.797789
where:
bonds (distance) C4'-P energy: -60.771
bonds (distance) P-C4' energy: -45.574
flat angles C4'-P-C4' energy: -53.559
flat angles P-C4'-P energy: -36.687
tors. eta vs tors. theta energy: -85.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -851.421519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.421519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.421519 (E_RNA)
where:
Base-Base interactions energy: -588.842
where: short stacking energy: -247.132
Base-Backbone interact. energy: -1.128
local terms energy: -261.452176
where:
bonds (distance) C4'-P energy: -50.240
bonds (distance) P-C4' energy: -56.362
flat angles C4'-P-C4' energy: -55.028
flat angles P-C4'-P energy: -26.426
tors. eta vs tors. theta energy: -73.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -780.462473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.462473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.462473 (E_RNA)
where:
Base-Base interactions energy: -556.785
where: short stacking energy: -226.102
Base-Backbone interact. energy: 0.815
local terms energy: -224.492212
where:
bonds (distance) C4'-P energy: -39.483
bonds (distance) P-C4' energy: -40.770
flat angles C4'-P-C4' energy: -58.729
flat angles P-C4'-P energy: -21.610
tors. eta vs tors. theta energy: -63.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -813.370015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.370015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.370015 (E_RNA)
where:
Base-Base interactions energy: -555.426
where: short stacking energy: -259.574
Base-Backbone interact. energy: -0.367
local terms energy: -257.576562
where:
bonds (distance) C4'-P energy: -44.207
bonds (distance) P-C4' energy: -52.483
flat angles C4'-P-C4' energy: -49.573
flat angles P-C4'-P energy: -28.669
tors. eta vs tors. theta energy: -82.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -739.509813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.509813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.509813 (E_RNA)
where:
Base-Base interactions energy: -517.910
where: short stacking energy: -219.602
Base-Backbone interact. energy: -0.626
local terms energy: -220.973939
where:
bonds (distance) C4'-P energy: -36.865
bonds (distance) P-C4' energy: -39.404
flat angles C4'-P-C4' energy: -49.424
flat angles P-C4'-P energy: -35.318
tors. eta vs tors. theta energy: -59.963
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: 5
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -692.822502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.822502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.822502 (E_RNA)
where:
Base-Base interactions energy: -468.083
where: short stacking energy: -187.900
Base-Backbone interact. energy: -0.547
local terms energy: -224.191739
where:
bonds (distance) C4'-P energy: -50.671
bonds (distance) P-C4' energy: -47.853
flat angles C4'-P-C4' energy: -44.739
flat angles P-C4'-P energy: -21.557
tors. eta vs tors. theta energy: -59.372
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: 473
Temperature: 1.300000
Total energy: -466.908641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.908641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.908641 (E_RNA)
where:
Base-Base interactions energy: -281.810
where: short stacking energy: -113.619
Base-Backbone interact. energy: -0.498
local terms energy: -184.600430
where:
bonds (distance) C4'-P energy: -39.809
bonds (distance) P-C4' energy: -43.273
flat angles C4'-P-C4' energy: -40.588
flat angles P-C4'-P energy: -36.174
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: 10, replica: 6
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -220.739652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.739652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.739652 (E_RNA)
where:
Base-Base interactions energy: -78.215
where: short stacking energy: -72.309
Base-Backbone interact. energy: 2.886
local terms energy: -145.410898
where:
bonds (distance) C4'-P energy: -50.001
bonds (distance) P-C4' energy: -55.859
flat angles C4'-P-C4' energy: -35.532
flat angles P-C4'-P energy: -20.275
tors. eta vs tors. theta energy: 16.255
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: 1
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -951.174157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.174157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.174157 (E_RNA)
where:
Base-Base interactions energy: -646.399
where: short stacking energy: -288.469
Base-Backbone interact. energy: -1.154
local terms energy: -303.621078
where:
bonds (distance) C4'-P energy: -57.343
bonds (distance) P-C4' energy: -55.298
flat angles C4'-P-C4' energy: -56.597
flat angles P-C4'-P energy: -42.709
tors. eta vs tors. theta energy: -91.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -903.497756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.497756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.497756 (E_RNA)
where:
Base-Base interactions energy: -638.644
where: short stacking energy: -266.199
Base-Backbone interact. energy: 2.740
local terms energy: -267.593942
where:
bonds (distance) C4'-P energy: -42.085
bonds (distance) P-C4' energy: -58.879
flat angles C4'-P-C4' energy: -57.465
flat angles P-C4'-P energy: -36.298
tors. eta vs tors. theta energy: -72.866
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: 3, replica: 4
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -881.609925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.609925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.609925 (E_RNA)
where:
Base-Base interactions energy: -610.391
where: short stacking energy: -266.990
Base-Backbone interact. energy: -1.566
local terms energy: -269.652843
where:
bonds (distance) C4'-P energy: -49.519
bonds (distance) P-C4' energy: -44.547
flat angles C4'-P-C4' energy: -62.124
flat angles P-C4'-P energy: -31.331
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: 4, replica: 8
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -843.124689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.124689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.124689 (E_RNA)
where:
Base-Base interactions energy: -597.046
where: short stacking energy: -261.742
Base-Backbone interact. energy: -0.648
local terms energy: -245.430538
where:
bonds (distance) C4'-P energy: -44.950
bonds (distance) P-C4' energy: -40.139
flat angles C4'-P-C4' energy: -53.215
flat angles P-C4'-P energy: -34.060
tors. eta vs tors. theta energy: -73.067
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: 5, replica: 7
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -834.901693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.901693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.901693 (E_RNA)
where:
Base-Base interactions energy: -564.914
where: short stacking energy: -243.323
Base-Backbone interact. energy: -1.259
local terms energy: -268.728320
where:
bonds (distance) C4'-P energy: -43.558
bonds (distance) P-C4' energy: -50.745
flat angles C4'-P-C4' energy: -57.688
flat angles P-C4'-P energy: -44.204
tors. eta vs tors. theta energy: -72.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -779.453248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.453248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.453248 (E_RNA)
where:
Base-Base interactions energy: -535.812
where: short stacking energy: -223.264
Base-Backbone interact. energy: -0.018
local terms energy: -243.623275
where:
bonds (distance) C4'-P energy: -37.468
bonds (distance) P-C4' energy: -45.723
flat angles C4'-P-C4' energy: -59.382
flat angles P-C4'-P energy: -33.108
tors. eta vs tors. theta energy: -67.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -740.544636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.544636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.544636 (E_RNA)
where:
Base-Base interactions energy: -513.167
where: short stacking energy: -208.885
Base-Backbone interact. energy: -0.713
local terms energy: -226.665097
where:
bonds (distance) C4'-P energy: -39.952
bonds (distance) P-C4' energy: -43.831
flat angles C4'-P-C4' energy: -56.422
flat angles P-C4'-P energy: -30.046
tors. eta vs tors. theta energy: -56.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -661.474171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.474171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.474171 (E_RNA)
where:
Base-Base interactions energy: -444.413
where: short stacking energy: -190.335
Base-Backbone interact. energy: -1.092
local terms energy: -215.968349
where:
bonds (distance) C4'-P energy: -44.904
bonds (distance) P-C4' energy: -44.812
flat angles C4'-P-C4' energy: -49.074
flat angles P-C4'-P energy: -19.606
tors. eta vs tors. theta energy: -57.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -587.253910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.253910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.253910 (E_RNA)
where:
Base-Base interactions energy: -372.615
where: short stacking energy: -153.194
Base-Backbone interact. energy: -0.122
local terms energy: -214.516374
where:
bonds (distance) C4'-P energy: -37.881
bonds (distance) P-C4' energy: -53.644
flat angles C4'-P-C4' energy: -51.666
flat angles P-C4'-P energy: -27.345
tors. eta vs tors. theta energy: -43.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -243.539293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.539293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.539293 (E_RNA)
where:
Base-Base interactions energy: -87.328
where: short stacking energy: -75.626
Base-Backbone interact. energy: 0.511
local terms energy: -156.722080
where:
bonds (distance) C4'-P energy: -50.357
bonds (distance) P-C4' energy: -47.098
flat angles C4'-P-C4' energy: -43.662
flat angles P-C4'-P energy: -19.186
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: 1, replica: 1
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -944.592387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.592387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.592387 (E_RNA)
where:
Base-Base interactions energy: -660.808
where: short stacking energy: -275.038
Base-Backbone interact. energy: -0.739
local terms energy: -283.045473
where:
bonds (distance) C4'-P energy: -44.881
bonds (distance) P-C4' energy: -51.394
flat angles C4'-P-C4' energy: -60.149
flat angles P-C4'-P energy: -42.573
tors. eta vs tors. theta energy: -84.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -882.630809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.630809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.630809 (E_RNA)
where:
Base-Base interactions energy: -617.181
where: short stacking energy: -272.751
Base-Backbone interact. energy: -0.274
local terms energy: -265.175682
where:
bonds (distance) C4'-P energy: -49.578
bonds (distance) P-C4' energy: -51.868
flat angles C4'-P-C4' energy: -53.320
flat angles P-C4'-P energy: -29.628
tors. eta vs tors. theta energy: -80.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -914.932561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.932561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.932561 (E_RNA)
where:
Base-Base interactions energy: -630.350
where: short stacking energy: -270.672
Base-Backbone interact. energy: -0.289
local terms energy: -284.292909
where:
bonds (distance) C4'-P energy: -52.879
bonds (distance) P-C4' energy: -41.541
flat angles C4'-P-C4' energy: -62.392
flat angles P-C4'-P energy: -46.014
tors. eta vs tors. theta energy: -81.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -842.371484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.371484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.371484 (E_RNA)
where:
Base-Base interactions energy: -576.150
where: short stacking energy: -256.600
Base-Backbone interact. energy: -1.152
local terms energy: -265.069092
where:
bonds (distance) C4'-P energy: -44.631
bonds (distance) P-C4' energy: -51.112
flat angles C4'-P-C4' energy: -56.444
flat angles P-C4'-P energy: -40.249
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: 5, replica: 8
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -816.142444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.142444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.142444 (E_RNA)
where:
Base-Base interactions energy: -556.035
where: short stacking energy: -227.132
Base-Backbone interact. energy: -0.218
local terms energy: -259.888750
where:
bonds (distance) C4'-P energy: -41.954
bonds (distance) P-C4' energy: -51.150
flat angles C4'-P-C4' energy: -57.759
flat angles P-C4'-P energy: -41.954
tors. eta vs tors. theta energy: -67.072
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: 3
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -771.352953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.352953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.352953 (E_RNA)
where:
Base-Base interactions energy: -529.542
where: short stacking energy: -221.265
Base-Backbone interact. energy: -3.005
local terms energy: -238.806161
where:
bonds (distance) C4'-P energy: -43.350
bonds (distance) P-C4' energy: -47.467
flat angles C4'-P-C4' energy: -50.508
flat angles P-C4'-P energy: -32.829
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: 475
Temperature: 1.200000
Total energy: -746.227437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.227437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.227437 (E_RNA)
where:
Base-Base interactions energy: -520.510
where: short stacking energy: -221.399
Base-Backbone interact. energy: 2.442
local terms energy: -228.159579
where:
bonds (distance) C4'-P energy: -39.655
bonds (distance) P-C4' energy: -50.193
flat angles C4'-P-C4' energy: -45.911
flat angles P-C4'-P energy: -29.708
tors. eta vs tors. theta energy: -62.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -667.277075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.277075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.277075 (E_RNA)
where:
Base-Base interactions energy: -465.671
where: short stacking energy: -176.397
Base-Backbone interact. energy: -0.772
local terms energy: -200.834665
where:
bonds (distance) C4'-P energy: -39.046
bonds (distance) P-C4' energy: -50.393
flat angles C4'-P-C4' energy: -39.567
flat angles P-C4'-P energy: -28.478
tors. eta vs tors. theta energy: -43.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -592.003911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.003911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.003911 (E_RNA)
where:
Base-Base interactions energy: -385.633
where: short stacking energy: -166.669
Base-Backbone interact. energy: -1.252
local terms energy: -205.118714
where:
bonds (distance) C4'-P energy: -41.694
bonds (distance) P-C4' energy: -51.400
flat angles C4'-P-C4' energy: -45.059
flat angles P-C4'-P energy: -25.339
tors. eta vs tors. theta energy: -41.626
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: 6
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -218.673277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.673277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.673277 (E_RNA)
where:
Base-Base interactions energy: -76.673
where: short stacking energy: -72.858
Base-Backbone interact. energy: -2.110
local terms energy: -139.890027
where:
bonds (distance) C4'-P energy: -42.713
bonds (distance) P-C4' energy: -51.848
flat angles C4'-P-C4' energy: -41.946
flat angles P-C4'-P energy: -19.393
tors. eta vs tors. theta energy: 16.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -956.033796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.033796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.033796 (E_RNA)
where:
Base-Base interactions energy: -672.207
where: short stacking energy: -286.877
Base-Backbone interact. energy: 0.477
local terms energy: -284.303489
where:
bonds (distance) C4'-P energy: -47.806
bonds (distance) P-C4' energy: -54.687
flat angles C4'-P-C4' energy: -55.914
flat angles P-C4'-P energy: -44.372
tors. eta vs tors. theta energy: -81.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -889.110063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.110063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.110063 (E_RNA)
where:
Base-Base interactions energy: -613.150
where: short stacking energy: -274.114
Base-Backbone interact. energy: -0.302
local terms energy: -275.658196
where:
bonds (distance) C4'-P energy: -45.285
bonds (distance) P-C4' energy: -46.351
flat angles C4'-P-C4' energy: -62.844
flat angles P-C4'-P energy: -42.714
tors. eta vs tors. theta energy: -78.464
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: 476
Temperature: 1.000000
Total energy: -913.256263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.256263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.256263 (E_RNA)
where:
Base-Base interactions energy: -631.743
where: short stacking energy: -272.322
Base-Backbone interact. energy: 0.159
local terms energy: -281.672472
where:
bonds (distance) C4'-P energy: -51.916
bonds (distance) P-C4' energy: -45.207
flat angles C4'-P-C4' energy: -57.438
flat angles P-C4'-P energy: -39.453
tors. eta vs tors. theta energy: -87.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -850.405165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.405165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.405165 (E_RNA)
where:
Base-Base interactions energy: -578.965
where: short stacking energy: -253.050
Base-Backbone interact. energy: -0.803
local terms energy: -270.636897
where:
bonds (distance) C4'-P energy: -51.064
bonds (distance) P-C4' energy: -41.203
flat angles C4'-P-C4' energy: -56.272
flat angles P-C4'-P energy: -43.127
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: 5, replica: 8
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -784.349043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.349043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.349043 (E_RNA)
where:
Base-Base interactions energy: -540.411
where: short stacking energy: -219.115
Base-Backbone interact. energy: -0.624
local terms energy: -243.314586
where:
bonds (distance) C4'-P energy: -51.569
bonds (distance) P-C4' energy: -46.668
flat angles C4'-P-C4' energy: -52.702
flat angles P-C4'-P energy: -39.656
tors. eta vs tors. theta energy: -52.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -768.935279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.935279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.935279 (E_RNA)
where:
Base-Base interactions energy: -520.836
where: short stacking energy: -224.129
Base-Backbone interact. energy: -0.256
local terms energy: -247.842568
where:
bonds (distance) C4'-P energy: -42.922
bonds (distance) P-C4' energy: -54.628
flat angles C4'-P-C4' energy: -53.204
flat angles P-C4'-P energy: -35.652
tors. eta vs tors. theta energy: -61.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -713.194254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.194254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.194254 (E_RNA)
where:
Base-Base interactions energy: -493.998
where: short stacking energy: -226.480
Base-Backbone interact. energy: 1.428
local terms energy: -220.624084
where:
bonds (distance) C4'-P energy: -45.425
bonds (distance) P-C4' energy: -44.267
flat angles C4'-P-C4' energy: -42.760
flat angles P-C4'-P energy: -31.455
tors. eta vs tors. theta energy: -56.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -684.746575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.746575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.746575 (E_RNA)
where:
Base-Base interactions energy: -477.504
where: short stacking energy: -201.565
Base-Backbone interact. energy: -0.943
local terms energy: -206.299487
where:
bonds (distance) C4'-P energy: -35.418
bonds (distance) P-C4' energy: -43.252
flat angles C4'-P-C4' energy: -49.387
flat angles P-C4'-P energy: -30.098
tors. eta vs tors. theta energy: -48.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -517.543019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.543019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.543019 (E_RNA)
where:
Base-Base interactions energy: -331.330
where: short stacking energy: -149.404
Base-Backbone interact. energy: 0.552
local terms energy: -186.765454
where:
bonds (distance) C4'-P energy: -46.291
bonds (distance) P-C4' energy: -35.665
flat angles C4'-P-C4' energy: -41.211
flat angles P-C4'-P energy: -22.650
tors. eta vs tors. theta energy: -40.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -245.903231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.903231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.903231 (E_RNA)
where:
Base-Base interactions energy: -94.811
where: short stacking energy: -61.971
Base-Backbone interact. energy: -0.434
local terms energy: -150.658170
where:
bonds (distance) C4'-P energy: -45.395
bonds (distance) P-C4' energy: -45.523
flat angles C4'-P-C4' energy: -38.102
flat angles P-C4'-P energy: -33.737
tors. eta vs tors. theta energy: 12.098
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: 477
Temperature: 0.900000
Total energy: -962.504589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.504589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.504589 (E_RNA)
where:
Base-Base interactions energy: -653.900
where: short stacking energy: -305.717
Base-Backbone interact. energy: -0.287
local terms energy: -308.317978
where:
bonds (distance) C4'-P energy: -55.413
bonds (distance) P-C4' energy: -52.194
flat angles C4'-P-C4' energy: -61.430
flat angles P-C4'-P energy: -48.641
tors. eta vs tors. theta energy: -90.639
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: 477
Temperature: 0.950000
Total energy: -924.366519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.366519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.366519 (E_RNA)
where:
Base-Base interactions energy: -641.188
where: short stacking energy: -283.089
Base-Backbone interact. energy: -0.688
local terms energy: -282.490065
where:
bonds (distance) C4'-P energy: -47.813
bonds (distance) P-C4' energy: -50.539
flat angles C4'-P-C4' energy: -62.130
flat angles P-C4'-P energy: -34.251
tors. eta vs tors. theta energy: -87.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -879.887217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.887217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.887217 (E_RNA)
where:
Base-Base interactions energy: -611.643
where: short stacking energy: -250.906
Base-Backbone interact. energy: -0.812
local terms energy: -267.432739
where:
bonds (distance) C4'-P energy: -45.584
bonds (distance) P-C4' energy: -50.923
flat angles C4'-P-C4' energy: -57.626
flat angles P-C4'-P energy: -34.065
tors. eta vs tors. theta energy: -79.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -836.708374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.708374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.708374 (E_RNA)
where:
Base-Base interactions energy: -582.466
where: short stacking energy: -231.005
Base-Backbone interact. energy: 1.798
local terms energy: -256.040963
where:
bonds (distance) C4'-P energy: -51.189
bonds (distance) P-C4' energy: -53.752
flat angles C4'-P-C4' energy: -50.433
flat angles P-C4'-P energy: -33.117
tors. eta vs tors. theta energy: -67.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -820.684912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.684912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.684912 (E_RNA)
where:
Base-Base interactions energy: -551.348
where: short stacking energy: -244.151
Base-Backbone interact. energy: -0.014
local terms energy: -269.323081
where:
bonds (distance) C4'-P energy: -53.655
bonds (distance) P-C4' energy: -43.035
flat angles C4'-P-C4' energy: -58.917
flat angles P-C4'-P energy: -36.467
tors. eta vs tors. theta energy: -77.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -762.590289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.590289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.590289 (E_RNA)
where:
Base-Base interactions energy: -521.475
where: short stacking energy: -219.446
Base-Backbone interact. energy: -0.273
local terms energy: -240.842778
where:
bonds (distance) C4'-P energy: -38.359
bonds (distance) P-C4' energy: -46.416
flat angles C4'-P-C4' energy: -52.362
flat angles P-C4'-P energy: -43.353
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: 3
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -761.613680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.613680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.613680 (E_RNA)
where:
Base-Base interactions energy: -551.670
where: short stacking energy: -224.548
Base-Backbone interact. energy: -1.620
local terms energy: -208.323731
where:
bonds (distance) C4'-P energy: -47.407
bonds (distance) P-C4' energy: -41.265
flat angles C4'-P-C4' energy: -41.859
flat angles P-C4'-P energy: -24.927
tors. eta vs tors. theta energy: -52.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -717.652690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.652690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.652690 (E_RNA)
where:
Base-Base interactions energy: -493.753
where: short stacking energy: -208.472
Base-Backbone interact. energy: 0.086
local terms energy: -223.985098
where:
bonds (distance) C4'-P energy: -41.664
bonds (distance) P-C4' energy: -38.134
flat angles C4'-P-C4' energy: -47.593
flat angles P-C4'-P energy: -35.947
tors. eta vs tors. theta energy: -60.647
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: 9, replica: 9
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -549.760088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.760088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.760088 (E_RNA)
where:
Base-Base interactions energy: -346.762
where: short stacking energy: -151.769
Base-Backbone interact. energy: 0.350
local terms energy: -203.348137
where:
bonds (distance) C4'-P energy: -47.105
bonds (distance) P-C4' energy: -49.403
flat angles C4'-P-C4' energy: -43.991
flat angles P-C4'-P energy: -26.708
tors. eta vs tors. theta energy: -36.142
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: 6
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -306.148430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.148430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.148430 (E_RNA)
where:
Base-Base interactions energy: -131.367
where: short stacking energy: -86.460
Base-Backbone interact. energy: 0.088
local terms energy: -174.869004
where:
bonds (distance) C4'-P energy: -51.223
bonds (distance) P-C4' energy: -45.839
flat angles C4'-P-C4' energy: -47.938
flat angles P-C4'-P energy: -23.781
tors. eta vs tors. theta energy: -6.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -966.562110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.562110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.562110 (E_RNA)
where:
Base-Base interactions energy: -667.938
where: short stacking energy: -289.969
Base-Backbone interact. energy: -1.532
local terms energy: -297.091791
where:
bonds (distance) C4'-P energy: -47.256
bonds (distance) P-C4' energy: -53.558
flat angles C4'-P-C4' energy: -57.072
flat angles P-C4'-P energy: -45.864
tors. eta vs tors. theta energy: -93.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -926.684680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.684680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.684680 (E_RNA)
where:
Base-Base interactions energy: -647.708
where: short stacking energy: -272.969
Base-Backbone interact. energy: 0.145
local terms energy: -279.121431
where:
bonds (distance) C4'-P energy: -51.544
bonds (distance) P-C4' energy: -50.592
flat angles C4'-P-C4' energy: -55.254
flat angles P-C4'-P energy: -41.689
tors. eta vs tors. theta energy: -80.043
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: 8
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -894.602251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.602251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.602251 (E_RNA)
where:
Base-Base interactions energy: -612.048
where: short stacking energy: -254.703
Base-Backbone interact. energy: -0.344
local terms energy: -282.210053
where:
bonds (distance) C4'-P energy: -58.128
bonds (distance) P-C4' energy: -53.956
flat angles C4'-P-C4' energy: -56.259
flat angles P-C4'-P energy: -40.246
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: 4, replica: 4
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -853.019104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.019104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.019104 (E_RNA)
where:
Base-Base interactions energy: -588.925
where: short stacking energy: -250.788
Base-Backbone interact. energy: 1.303
local terms energy: -265.396930
where:
bonds (distance) C4'-P energy: -52.596
bonds (distance) P-C4' energy: -45.008
flat angles C4'-P-C4' energy: -52.466
flat angles P-C4'-P energy: -38.266
tors. eta vs tors. theta energy: -77.062
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: 7
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -823.146746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.146746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.146746 (E_RNA)
where:
Base-Base interactions energy: -564.020
where: short stacking energy: -236.725
Base-Backbone interact. energy: -0.275
local terms energy: -258.852272
where:
bonds (distance) C4'-P energy: -46.354
bonds (distance) P-C4' energy: -42.839
flat angles C4'-P-C4' energy: -58.141
flat angles P-C4'-P energy: -43.090
tors. eta vs tors. theta energy: -68.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -763.375333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.375333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.375333 (E_RNA)
where:
Base-Base interactions energy: -515.931
where: short stacking energy: -220.339
Base-Backbone interact. energy: 0.857
local terms energy: -248.302056
where:
bonds (distance) C4'-P energy: -44.240
bonds (distance) P-C4' energy: -53.414
flat angles C4'-P-C4' energy: -50.240
flat angles P-C4'-P energy: -39.642
tors. eta vs tors. theta energy: -60.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -724.949290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.949290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.949290 (E_RNA)
where:
Base-Base interactions energy: -500.443
where: short stacking energy: -212.861
Base-Backbone interact. energy: 0.234
local terms energy: -224.740549
where:
bonds (distance) C4'-P energy: -35.160
bonds (distance) P-C4' energy: -38.186
flat angles C4'-P-C4' energy: -53.182
flat angles P-C4'-P energy: -36.086
tors. eta vs tors. theta energy: -62.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -714.618693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.618693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.618693 (E_RNA)
where:
Base-Base interactions energy: -493.737
where: short stacking energy: -207.109
Base-Backbone interact. energy: -0.170
local terms energy: -220.711221
where:
bonds (distance) C4'-P energy: -34.203
bonds (distance) P-C4' energy: -49.722
flat angles C4'-P-C4' energy: -46.838
flat angles P-C4'-P energy: -31.039
tors. eta vs tors. theta energy: -58.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -489.361615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.361615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.361615 (E_RNA)
where:
Base-Base interactions energy: -304.461
where: short stacking energy: -126.208
Base-Backbone interact. energy: 0.606
local terms energy: -185.507003
where:
bonds (distance) C4'-P energy: -45.997
bonds (distance) P-C4' energy: -43.873
flat angles C4'-P-C4' energy: -50.160
flat angles P-C4'-P energy: -28.737
tors. eta vs tors. theta energy: -16.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -298.958918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.958918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.958918 (E_RNA)
where:
Base-Base interactions energy: -144.997
where: short stacking energy: -100.730
Base-Backbone interact. energy: 2.678
local terms energy: -156.639361
where:
bonds (distance) C4'-P energy: -27.540
bonds (distance) P-C4' energy: -41.777
flat angles C4'-P-C4' energy: -39.408
flat angles P-C4'-P energy: -34.475
tors. eta vs tors. theta energy: -13.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -960.239945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.239945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.239945 (E_RNA)
where:
Base-Base interactions energy: -665.104
where: short stacking energy: -290.226
Base-Backbone interact. energy: -1.055
local terms energy: -294.080610
where:
bonds (distance) C4'-P energy: -51.763
bonds (distance) P-C4' energy: -51.151
flat angles C4'-P-C4' energy: -63.475
flat angles P-C4'-P energy: -43.095
tors. eta vs tors. theta energy: -84.596
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: 8
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -896.158382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.158382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.158382 (E_RNA)
where:
Base-Base interactions energy: -616.701
where: short stacking energy: -249.324
Base-Backbone interact. energy: -1.285
local terms energy: -278.171800
where:
bonds (distance) C4'-P energy: -53.235
bonds (distance) P-C4' energy: -52.483
flat angles C4'-P-C4' energy: -57.430
flat angles P-C4'-P energy: -37.715
tors. eta vs tors. theta energy: -77.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -910.189099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.189099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.189099 (E_RNA)
where:
Base-Base interactions energy: -635.641
where: short stacking energy: -286.710
Base-Backbone interact. energy: -1.246
local terms energy: -273.301716
where:
bonds (distance) C4'-P energy: -43.775
bonds (distance) P-C4' energy: -54.725
flat angles C4'-P-C4' energy: -55.923
flat angles P-C4'-P energy: -37.504
tors. eta vs tors. theta energy: -81.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -859.919338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.919338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.919338 (E_RNA)
where:
Base-Base interactions energy: -593.925
where: short stacking energy: -255.518
Base-Backbone interact. energy: 0.736
local terms energy: -266.729759
where:
bonds (distance) C4'-P energy: -49.785
bonds (distance) P-C4' energy: -45.448
flat angles C4'-P-C4' energy: -61.573
flat angles P-C4'-P energy: -38.268
tors. eta vs tors. theta energy: -71.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -828.996238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.996238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.996238 (E_RNA)
where:
Base-Base interactions energy: -572.416
where: short stacking energy: -250.264
Base-Backbone interact. energy: -0.613
local terms energy: -255.967683
where:
bonds (distance) C4'-P energy: -41.431
bonds (distance) P-C4' energy: -48.570
flat angles C4'-P-C4' energy: -54.164
flat angles P-C4'-P energy: -39.818
tors. eta vs tors. theta energy: -71.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -763.863517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.863517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.863517 (E_RNA)
where:
Base-Base interactions energy: -517.845
where: short stacking energy: -226.434
Base-Backbone interact. energy: -1.365
local terms energy: -244.653788
where:
bonds (distance) C4'-P energy: -38.718
bonds (distance) P-C4' energy: -55.513
flat angles C4'-P-C4' energy: -52.505
flat angles P-C4'-P energy: -34.262
tors. eta vs tors. theta energy: -63.655
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: 3
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -715.738374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.738374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.738374 (E_RNA)
where:
Base-Base interactions energy: -492.561
where: short stacking energy: -197.032
Base-Backbone interact. energy: -0.987
local terms energy: -222.190237
where:
bonds (distance) C4'-P energy: -32.560
bonds (distance) P-C4' energy: -46.107
flat angles C4'-P-C4' energy: -56.379
flat angles P-C4'-P energy: -38.105
tors. eta vs tors. theta energy: -49.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -704.608538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.608538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.608538 (E_RNA)
where:
Base-Base interactions energy: -498.366
where: short stacking energy: -189.761
Base-Backbone interact. energy: 2.816
local terms energy: -209.058257
where:
bonds (distance) C4'-P energy: -48.759
bonds (distance) P-C4' energy: -42.072
flat angles C4'-P-C4' energy: -41.425
flat angles P-C4'-P energy: -36.554
tors. eta vs tors. theta energy: -40.248
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: 9, replica: 9
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -500.335019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.335019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.335019 (E_RNA)
where:
Base-Base interactions energy: -314.263
where: short stacking energy: -144.869
Base-Backbone interact. energy: 2.169
local terms energy: -188.241719
where:
bonds (distance) C4'-P energy: -43.372
bonds (distance) P-C4' energy: -45.831
flat angles C4'-P-C4' energy: -40.378
flat angles P-C4'-P energy: -29.064
tors. eta vs tors. theta energy: -29.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -230.302243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.302243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.302243 (E_RNA)
where:
Base-Base interactions energy: -83.656
where: short stacking energy: -56.733
Base-Backbone interact. energy: -0.581
local terms energy: -146.064511
where:
bonds (distance) C4'-P energy: -46.317
bonds (distance) P-C4' energy: -42.824
flat angles C4'-P-C4' energy: -35.027
flat angles P-C4'-P energy: -19.726
tors. eta vs tors. theta energy: -2.171
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: 1
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -960.358500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.358500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.358500 (E_RNA)
where:
Base-Base interactions energy: -665.450
where: short stacking energy: -297.451
Base-Backbone interact. energy: 0.168
local terms energy: -295.075812
where:
bonds (distance) C4'-P energy: -52.214
bonds (distance) P-C4' energy: -51.348
flat angles C4'-P-C4' energy: -62.600
flat angles P-C4'-P energy: -42.206
tors. eta vs tors. theta energy: -86.709
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: 8
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -896.692616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.692616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.692616 (E_RNA)
where:
Base-Base interactions energy: -621.124
where: short stacking energy: -250.780
Base-Backbone interact. energy: -0.120
local terms energy: -275.449177
where:
bonds (distance) C4'-P energy: -55.180
bonds (distance) P-C4' energy: -53.254
flat angles C4'-P-C4' energy: -58.342
flat angles P-C4'-P energy: -31.430
tors. eta vs tors. theta energy: -77.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -934.307828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.307828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.307828 (E_RNA)
where:
Base-Base interactions energy: -648.635
where: short stacking energy: -275.761
Base-Backbone interact. energy: -0.829
local terms energy: -284.844082
where:
bonds (distance) C4'-P energy: -47.151
bonds (distance) P-C4' energy: -54.985
flat angles C4'-P-C4' energy: -58.766
flat angles P-C4'-P energy: -40.965
tors. eta vs tors. theta energy: -82.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -840.350706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.350706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.350706 (E_RNA)
where:
Base-Base interactions energy: -576.921
where: short stacking energy: -243.592
Base-Backbone interact. energy: -1.109
local terms energy: -262.321110
where:
bonds (distance) C4'-P energy: -48.895
bonds (distance) P-C4' energy: -52.976
flat angles C4'-P-C4' energy: -52.359
flat angles P-C4'-P energy: -37.833
tors. eta vs tors. theta energy: -70.257
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: 480
Temperature: 1.100000
Total energy: -796.656881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.656881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.656881 (E_RNA)
where:
Base-Base interactions energy: -546.206
where: short stacking energy: -231.906
Base-Backbone interact. energy: 0.577
local terms energy: -251.028144
where:
bonds (distance) C4'-P energy: -45.457
bonds (distance) P-C4' energy: -46.140
flat angles C4'-P-C4' energy: -55.218
flat angles P-C4'-P energy: -36.551
tors. eta vs tors. theta energy: -67.662
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: 7
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -779.000230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.000230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.000230 (E_RNA)
where:
Base-Base interactions energy: -519.983
where: short stacking energy: -218.056
Base-Backbone interact. energy: -1.313
local terms energy: -257.704879
where:
bonds (distance) C4'-P energy: -51.067
bonds (distance) P-C4' energy: -49.780
flat angles C4'-P-C4' energy: -55.490
flat angles P-C4'-P energy: -36.763
tors. eta vs tors. theta energy: -64.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -747.782622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.782622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.782622 (E_RNA)
where:
Base-Base interactions energy: -519.568
where: short stacking energy: -213.768
Base-Backbone interact. energy: 0.195
local terms energy: -228.409526
where:
bonds (distance) C4'-P energy: -45.835
bonds (distance) P-C4' energy: -40.591
flat angles C4'-P-C4' energy: -54.609
flat angles P-C4'-P energy: -22.965
tors. eta vs tors. theta energy: -64.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -691.341078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.341078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.341078 (E_RNA)
where:
Base-Base interactions energy: -462.250
where: short stacking energy: -198.660
Base-Backbone interact. energy: -0.504
local terms energy: -228.587722
where:
bonds (distance) C4'-P energy: -51.224
bonds (distance) P-C4' energy: -43.541
flat angles C4'-P-C4' energy: -55.948
flat angles P-C4'-P energy: -23.785
tors. eta vs tors. theta energy: -54.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -519.988481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.988481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.988481 (E_RNA)
where:
Base-Base interactions energy: -326.917
where: short stacking energy: -146.284
Base-Backbone interact. energy: -0.316
local terms energy: -192.754859
where:
bonds (distance) C4'-P energy: -52.539
bonds (distance) P-C4' energy: -43.720
flat angles C4'-P-C4' energy: -40.756
flat angles P-C4'-P energy: -30.429
tors. eta vs tors. theta energy: -25.311
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: 10, replica: 6
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -235.362967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.362967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.362967 (E_RNA)
where:
Base-Base interactions energy: -84.295
where: short stacking energy: -66.257
Base-Backbone interact. energy: 1.990
local terms energy: -153.057707
where:
bonds (distance) C4'-P energy: -46.889
bonds (distance) P-C4' energy: -51.519
flat angles C4'-P-C4' energy: -30.830
flat angles P-C4'-P energy: -17.378
tors. eta vs tors. theta energy: -6.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -957.686940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.686940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.686940 (E_RNA)
where:
Base-Base interactions energy: -658.649
where: short stacking energy: -297.666
Base-Backbone interact. energy: -0.587
local terms energy: -298.450986
where:
bonds (distance) C4'-P energy: -54.208
bonds (distance) P-C4' energy: -44.839
flat angles C4'-P-C4' energy: -67.630
flat angles P-C4'-P energy: -42.549
tors. eta vs tors. theta energy: -89.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -940.747295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.747295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.747295 (E_RNA)
where:
Base-Base interactions energy: -645.898
where: short stacking energy: -286.194
Base-Backbone interact. energy: -0.902
local terms energy: -293.946804
where:
bonds (distance) C4'-P energy: -49.715
bonds (distance) P-C4' energy: -50.937
flat angles C4'-P-C4' energy: -66.028
flat angles P-C4'-P energy: -43.379
tors. eta vs tors. theta energy: -83.888
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: 8
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -884.953894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.953894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.953894 (E_RNA)
where:
Base-Base interactions energy: -604.805
where: short stacking energy: -256.779
Base-Backbone interact. energy: -2.072
local terms energy: -278.076401
where:
bonds (distance) C4'-P energy: -54.593
bonds (distance) P-C4' energy: -47.648
flat angles C4'-P-C4' energy: -65.540
flat angles P-C4'-P energy: -37.498
tors. eta vs tors. theta energy: -72.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -848.352885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.352885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.352885 (E_RNA)
where:
Base-Base interactions energy: -584.077
where: short stacking energy: -240.949
Base-Backbone interact. energy: -1.556
local terms energy: -262.720685
where:
bonds (distance) C4'-P energy: -50.050
bonds (distance) P-C4' energy: -49.996
flat angles C4'-P-C4' energy: -54.894
flat angles P-C4'-P energy: -36.752
tors. eta vs tors. theta energy: -71.029
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: 481
Temperature: 1.100000
Total energy: -822.853930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.853930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.853930 (E_RNA)
where:
Base-Base interactions energy: -567.142
where: short stacking energy: -229.352
Base-Backbone interact. energy: -0.948
local terms energy: -254.763263
where:
bonds (distance) C4'-P energy: -42.825
bonds (distance) P-C4' energy: -48.107
flat angles C4'-P-C4' energy: -53.234
flat angles P-C4'-P energy: -39.919
tors. eta vs tors. theta energy: -70.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -760.591469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.591469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.591469 (E_RNA)
where:
Base-Base interactions energy: -523.393
where: short stacking energy: -229.305
Base-Backbone interact. energy: -0.347
local terms energy: -236.851108
where:
bonds (distance) C4'-P energy: -42.871
bonds (distance) P-C4' energy: -44.114
flat angles C4'-P-C4' energy: -54.408
flat angles P-C4'-P energy: -36.872
tors. eta vs tors. theta energy: -58.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -740.127677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.127677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.127677 (E_RNA)
where:
Base-Base interactions energy: -503.335
where: short stacking energy: -208.677
Base-Backbone interact. energy: -0.828
local terms energy: -235.965252
where:
bonds (distance) C4'-P energy: -45.238
bonds (distance) P-C4' energy: -51.853
flat angles C4'-P-C4' energy: -51.714
flat angles P-C4'-P energy: -28.350
tors. eta vs tors. theta energy: -58.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -669.907305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.907305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.907305 (E_RNA)
where:
Base-Base interactions energy: -446.448
where: short stacking energy: -180.331
Base-Backbone interact. energy: -1.120
local terms energy: -222.340149
where:
bonds (distance) C4'-P energy: -42.222
bonds (distance) P-C4' energy: -49.873
flat angles C4'-P-C4' energy: -50.648
flat angles P-C4'-P energy: -38.618
tors. eta vs tors. theta energy: -40.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -585.121762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.121762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.121762 (E_RNA)
where:
Base-Base interactions energy: -385.346
where: short stacking energy: -165.607
Base-Backbone interact. energy: 0.539
local terms energy: -200.315225
where:
bonds (distance) C4'-P energy: -41.432
bonds (distance) P-C4' energy: -40.870
flat angles C4'-P-C4' energy: -41.361
flat angles P-C4'-P energy: -37.739
tors. eta vs tors. theta energy: -38.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -230.987433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.987433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.987433 (E_RNA)
where:
Base-Base interactions energy: -76.905
where: short stacking energy: -66.221
Base-Backbone interact. energy: 0.527
local terms energy: -154.609930
where:
bonds (distance) C4'-P energy: -47.867
bonds (distance) P-C4' energy: -47.605
flat angles C4'-P-C4' energy: -38.479
flat angles P-C4'-P energy: -23.695
tors. eta vs tors. theta energy: 3.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -960.164772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.164772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.164772 (E_RNA)
where:
Base-Base interactions energy: -661.210
where: short stacking energy: -279.411
Base-Backbone interact. energy: -0.461
local terms energy: -298.493617
where:
bonds (distance) C4'-P energy: -55.689
bonds (distance) P-C4' energy: -52.829
flat angles C4'-P-C4' energy: -63.403
flat angles P-C4'-P energy: -40.981
tors. eta vs tors. theta energy: -85.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -942.686774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.686774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.686774 (E_RNA)
where:
Base-Base interactions energy: -659.482
where: short stacking energy: -282.554
Base-Backbone interact. energy: -1.460
local terms energy: -281.744952
where:
bonds (distance) C4'-P energy: -44.246
bonds (distance) P-C4' energy: -50.267
flat angles C4'-P-C4' energy: -58.211
flat angles P-C4'-P energy: -47.828
tors. eta vs tors. theta energy: -81.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -872.935148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.935148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.935148 (E_RNA)
where:
Base-Base interactions energy: -600.459
where: short stacking energy: -243.213
Base-Backbone interact. energy: -0.020
local terms energy: -272.456450
where:
bonds (distance) C4'-P energy: -48.201
bonds (distance) P-C4' energy: -55.424
flat angles C4'-P-C4' energy: -54.673
flat angles P-C4'-P energy: -43.897
tors. eta vs tors. theta energy: -70.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -844.106068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.106068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.106068 (E_RNA)
where:
Base-Base interactions energy: -567.501
where: short stacking energy: -247.071
Base-Backbone interact. energy: 1.478
local terms energy: -278.082579
where:
bonds (distance) C4'-P energy: -57.394
bonds (distance) P-C4' energy: -46.321
flat angles C4'-P-C4' energy: -60.656
flat angles P-C4'-P energy: -42.262
tors. eta vs tors. theta energy: -71.449
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: 5, replica: 4
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -837.352846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.352846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.352846 (E_RNA)
where:
Base-Base interactions energy: -587.103
where: short stacking energy: -249.161
Base-Backbone interact. energy: -0.612
local terms energy: -249.637781
where:
bonds (distance) C4'-P energy: -51.720
bonds (distance) P-C4' energy: -48.446
flat angles C4'-P-C4' energy: -51.251
flat angles P-C4'-P energy: -29.250
tors. eta vs tors. theta energy: -68.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -769.015111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.015111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.015111 (E_RNA)
where:
Base-Base interactions energy: -515.943
where: short stacking energy: -215.666
Base-Backbone interact. energy: 0.193
local terms energy: -253.265538
where:
bonds (distance) C4'-P energy: -48.177
bonds (distance) P-C4' energy: -45.605
flat angles C4'-P-C4' energy: -53.162
flat angles P-C4'-P energy: -31.983
tors. eta vs tors. theta energy: -74.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -737.989150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.989150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.989150 (E_RNA)
where:
Base-Base interactions energy: -521.425
where: short stacking energy: -218.494
Base-Backbone interact. energy: -1.089
local terms energy: -215.475178
where:
bonds (distance) C4'-P energy: -32.265
bonds (distance) P-C4' energy: -55.382
flat angles C4'-P-C4' energy: -38.437
flat angles P-C4'-P energy: -27.334
tors. eta vs tors. theta energy: -62.056
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: 5
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -700.920238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.920238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.920238 (E_RNA)
where:
Base-Base interactions energy: -489.907
where: short stacking energy: -209.028
Base-Backbone interact. energy: -0.554
local terms energy: -210.459262
where:
bonds (distance) C4'-P energy: -32.656
bonds (distance) P-C4' energy: -45.905
flat angles C4'-P-C4' energy: -51.919
flat angles P-C4'-P energy: -27.178
tors. eta vs tors. theta energy: -52.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -537.259590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.259590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.259590 (E_RNA)
where:
Base-Base interactions energy: -343.057
where: short stacking energy: -154.285
Base-Backbone interact. energy: -0.403
local terms energy: -193.799572
where:
bonds (distance) C4'-P energy: -35.251
bonds (distance) P-C4' energy: -50.905
flat angles C4'-P-C4' energy: -54.591
flat angles P-C4'-P energy: -19.988
tors. eta vs tors. theta energy: -33.064
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: 6
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -218.226343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.226343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.226343 (E_RNA)
where:
Base-Base interactions energy: -79.476
where: short stacking energy: -61.037
Base-Backbone interact. energy: -1.011
local terms energy: -137.738669
where:
bonds (distance) C4'-P energy: -34.181
bonds (distance) P-C4' energy: -43.392
flat angles C4'-P-C4' energy: -38.807
flat angles P-C4'-P energy: -18.011
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: 1, replica: 2
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -941.744317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.744317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.744317 (E_RNA)
where:
Base-Base interactions energy: -653.140
where: short stacking energy: -271.025
Base-Backbone interact. energy: 0.262
local terms energy: -288.866385
where:
bonds (distance) C4'-P energy: -51.936
bonds (distance) P-C4' energy: -51.196
flat angles C4'-P-C4' energy: -60.961
flat angles P-C4'-P energy: -43.189
tors. eta vs tors. theta energy: -81.584
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: 1
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -934.244395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.244395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.244395 (E_RNA)
where:
Base-Base interactions energy: -650.522
where: short stacking energy: -281.782
Base-Backbone interact. energy: -2.153
local terms energy: -281.569500
where:
bonds (distance) C4'-P energy: -50.157
bonds (distance) P-C4' energy: -53.396
flat angles C4'-P-C4' energy: -52.710
flat angles P-C4'-P energy: -36.805
tors. eta vs tors. theta energy: -88.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -867.414116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.414116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.414116 (E_RNA)
where:
Base-Base interactions energy: -613.886
where: short stacking energy: -243.221
Base-Backbone interact. energy: -0.426
local terms energy: -253.102364
where:
bonds (distance) C4'-P energy: -50.709
bonds (distance) P-C4' energy: -43.709
flat angles C4'-P-C4' energy: -53.234
flat angles P-C4'-P energy: -33.916
tors. eta vs tors. theta energy: -71.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -866.777093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.777093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.777093 (E_RNA)
where:
Base-Base interactions energy: -602.133
where: short stacking energy: -260.348
Base-Backbone interact. energy: -0.294
local terms energy: -264.349900
where:
bonds (distance) C4'-P energy: -45.810
bonds (distance) P-C4' energy: -47.623
flat angles C4'-P-C4' energy: -58.616
flat angles P-C4'-P energy: -35.328
tors. eta vs tors. theta energy: -76.974
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: 5, replica: 10
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -793.441817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.441817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.441817 (E_RNA)
where:
Base-Base interactions energy: -543.355
where: short stacking energy: -253.131
Base-Backbone interact. energy: -0.755
local terms energy: -249.331811
where:
bonds (distance) C4'-P energy: -45.685
bonds (distance) P-C4' energy: -47.266
flat angles C4'-P-C4' energy: -53.592
flat angles P-C4'-P energy: -35.913
tors. eta vs tors. theta energy: -66.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -783.590474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.590474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.590474 (E_RNA)
where:
Base-Base interactions energy: -536.791
where: short stacking energy: -222.684
Base-Backbone interact. energy: -1.798
local terms energy: -245.001728
where:
bonds (distance) C4'-P energy: -54.231
bonds (distance) P-C4' energy: -41.835
flat angles C4'-P-C4' energy: -53.546
flat angles P-C4'-P energy: -31.511
tors. eta vs tors. theta energy: -63.879
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: 3
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -716.604940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.604940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.604940 (E_RNA)
where:
Base-Base interactions energy: -522.372
where: short stacking energy: -212.987
Base-Backbone interact. energy: -0.800
local terms energy: -193.433364
where:
bonds (distance) C4'-P energy: -38.133
bonds (distance) P-C4' energy: -43.079
flat angles C4'-P-C4' energy: -45.226
flat angles P-C4'-P energy: -21.375
tors. eta vs tors. theta energy: -45.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -709.251672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.251672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.251672 (E_RNA)
where:
Base-Base interactions energy: -480.620
where: short stacking energy: -204.030
Base-Backbone interact. energy: -0.586
local terms energy: -228.046088
where:
bonds (distance) C4'-P energy: -50.185
bonds (distance) P-C4' energy: -43.030
flat angles C4'-P-C4' energy: -55.542
flat angles P-C4'-P energy: -28.229
tors. eta vs tors. theta energy: -51.059
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: 483
Temperature: 1.300000
Total energy: -512.248766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.248766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.248766 (E_RNA)
where:
Base-Base interactions energy: -314.906
where: short stacking energy: -146.782
Base-Backbone interact. energy: -1.304
local terms energy: -196.038561
where:
bonds (distance) C4'-P energy: -50.040
bonds (distance) P-C4' energy: -56.107
flat angles C4'-P-C4' energy: -46.075
flat angles P-C4'-P energy: -17.948
tors. eta vs tors. theta energy: -25.869
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: 6
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -225.215540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.215540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.215540 (E_RNA)
where:
Base-Base interactions energy: -66.440
where: short stacking energy: -63.630
Base-Backbone interact. energy: -1.089
local terms energy: -157.685710
where:
bonds (distance) C4'-P energy: -41.208
bonds (distance) P-C4' energy: -50.453
flat angles C4'-P-C4' energy: -43.715
flat angles P-C4'-P energy: -24.977
tors. eta vs tors. theta energy: 2.667
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)
out arg RESULTS//1/Denv2_dominio3_RNAco-59991fe0_01
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 2
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -959.501022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.501022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.501022 (E_RNA)
where:
Base-Base interactions energy: -656.799
where: short stacking energy: -286.420
Base-Backbone interact. energy: -1.653
local terms energy: -301.049379
where:
bonds (distance) C4'-P energy: -55.081
bonds (distance) P-C4' energy: -57.468
flat angles C4'-P-C4' energy: -62.532
flat angles P-C4'-P energy: -40.835
tors. eta vs tors. theta energy: -85.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -930.015729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.015729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.015729 (E_RNA)
where:
Base-Base interactions energy: -641.628
where: short stacking energy: -289.209
Base-Backbone interact. energy: -0.178
local terms energy: -288.209815
where:
bonds (distance) C4'-P energy: -50.862
bonds (distance) P-C4' energy: -57.021
flat angles C4'-P-C4' energy: -57.216
flat angles P-C4'-P energy: -38.129
tors. eta vs tors. theta energy: -84.982
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: 8
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -912.044842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.044842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.044842 (E_RNA)
where:
Base-Base interactions energy: -641.064
where: short stacking energy: -266.922
Base-Backbone interact. energy: -0.610
local terms energy: -270.371423
where:
bonds (distance) C4'-P energy: -50.411
bonds (distance) P-C4' energy: -47.378
flat angles C4'-P-C4' energy: -55.326
flat angles P-C4'-P energy: -35.526
tors. eta vs tors. theta energy: -81.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -853.982818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.982818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.982818 (E_RNA)
where:
Base-Base interactions energy: -583.999
where: short stacking energy: -254.813
Base-Backbone interact. energy: -1.353
local terms energy: -268.630864
where:
bonds (distance) C4'-P energy: -46.119
bonds (distance) P-C4' energy: -57.075
flat angles C4'-P-C4' energy: -50.497
flat angles P-C4'-P energy: -35.122
tors. eta vs tors. theta energy: -79.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -791.295042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.295042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.295042 (E_RNA)
where:
Base-Base interactions energy: -547.126
where: short stacking energy: -239.340
Base-Backbone interact. energy: -0.757
local terms energy: -243.411960
where:
bonds (distance) C4'-P energy: -47.691
bonds (distance) P-C4' energy: -46.376
flat angles C4'-P-C4' energy: -54.053
flat angles P-C4'-P energy: -30.108
tors. eta vs tors. theta energy: -65.184
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: 10
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -769.028781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.028781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.028781 (E_RNA)
where:
Base-Base interactions energy: -526.862
where: short stacking energy: -212.052
Base-Backbone interact. energy: -0.635
local terms energy: -241.531817
where:
bonds (distance) C4'-P energy: -43.025
bonds (distance) P-C4' energy: -57.244
flat angles C4'-P-C4' energy: -48.746
flat angles P-C4'-P energy: -31.569
tors. eta vs tors. theta energy: -60.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -763.378027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.378027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.378027 (E_RNA)
where:
Base-Base interactions energy: -543.248
where: short stacking energy: -219.111
Base-Backbone interact. energy: 0.379
local terms energy: -220.509866
where:
bonds (distance) C4'-P energy: -36.582
bonds (distance) P-C4' energy: -44.835
flat angles C4'-P-C4' energy: -39.689
flat angles P-C4'-P energy: -39.192
tors. eta vs tors. theta energy: -60.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -689.698417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.698417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.698417 (E_RNA)
where:
Base-Base interactions energy: -484.913
where: short stacking energy: -194.240
Base-Backbone interact. energy: -0.675
local terms energy: -204.110479
where:
bonds (distance) C4'-P energy: -24.178
bonds (distance) P-C4' energy: -45.988
flat angles C4'-P-C4' energy: -50.282
flat angles P-C4'-P energy: -31.948
tors. eta vs tors. theta energy: -51.715
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: 9
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -501.453652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.453652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.453652 (E_RNA)
where:
Base-Base interactions energy: -320.111
where: short stacking energy: -135.835
Base-Backbone interact. energy: -0.827
local terms energy: -180.516214
where:
bonds (distance) C4'-P energy: -47.345
bonds (distance) P-C4' energy: -41.164
flat angles C4'-P-C4' energy: -42.350
flat angles P-C4'-P energy: -26.745
tors. eta vs tors. theta energy: -22.912
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: 6
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -224.104016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.104016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.104016 (E_RNA)
where:
Base-Base interactions energy: -78.519
where: short stacking energy: -75.482
Base-Backbone interact. energy: -0.620
local terms energy: -144.965080
where:
bonds (distance) C4'-P energy: -36.734
bonds (distance) P-C4' energy: -45.405
flat angles C4'-P-C4' energy: -43.883
flat angles P-C4'-P energy: -23.987
tors. eta vs tors. theta energy: 5.043
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)